ChemicalBook > CAS DataBase List > 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-

1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-

Product Name: 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-
CAS No.: 1007882-23-6
Chemical Name: 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-
Synonyms: (2S,2'S)-;EOS-61352;HCV-IN-30;HCV-IN-30, 10 mM in DMSO;Daclatasvir Intermediates;Daclatasvir Intermediate-2;Dacaltasvir Intermediate 02;Daclatasvir Intermediates Ⅱ;Daclatasvir Intermediates 4;Daclatasvir intermediate 02
CBNumber: CB42715201
Molecular Formula: C36H44N6O4
Formula Weight: 624.77236
MOL File: 1007882-23-6.mol

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1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)- Property

Boiling point:: 890.2±65.0 °C(Predicted)
Density: 1.220±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
solubility: DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 12.83±0.10(Predicted)
color: White to Off-White
InChI: InChI=1/C36H44N6O4/c1-35(2,3)45-33(43)41-19-7-9-29(41)31-37-21-27(39-31)25-15-11-23(12-16-25)24-13-17-26(18-14-24)28-22-38-32(40-28)30-10-8-20-42(30)34(44)46-36(4,5)6/h11-18,21-22,29-30H,7-10,19-20H2,1-6H3,(H,37,39)(H,38,40)/t29-,30-/s3
InChIKey: WPMTYMFNINZZHE-WBOANQFRNA-N
SMILES: C1(C2=CC=C(C3NC([C@@H]4CCCN4C(OC(C)(C)C)=O)=NC=3)C=C2)=CC=C(C2NC([C@@H]3CCCN3C(OC(C)(C)C)=O)=NC=2)C=C1 |&1:8,30,r|

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H272May intensify fire; oxidizer

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P210Keep away from heat/sparks/open flames/hot surfaces. — No smoking.

P220Keep/Store away from clothing/…/combustible materials.

P221Take any precaution to avoid mixing with combustibles/…

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P370+P378In case of fire: Use … for extinction.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

ApexBio Technology

Product number: A5618
Product name: methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Packaging: 25mg
Price: $220
Updated: 2021/12/16

ApexBio Technology

Product number: A5618
Product name: methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Packaging: 100mg
Price: $610
Updated: 2021/12/16

ApexBio Technology

Product number: A5618
Product name: methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Packaging: 5mg
Price: $65
Updated: 2021/12/16

ApexBio Technology

Product number: A5618
Product name: methyl N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Packaging: 10mM(in 1mL DMSO)
Price: $100
Updated: 2021/12/16

Chemenu

Product number: CM187673
Product name: di-tert-butyl2,2''-([1,1''-biphenyl]-4,4''-diylbis(1H-imidazole-4,2-diyl))(2S,2''S)-bis(pyrrolidine-1-carboxylate)
Purity: 95%
Packaging: 1g
Price: $102
Updated: 2021/12/16

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1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)- Chemical Properties,Usage,Production

Uses

(2S,2''S)-2,2''-([1,1''-Biphenyl]-4,4''-diyldi-1H-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic Acid 1,1''-Bis(1,1-dimethylethyl) Ester is an antiviral agent and Daclatasvir (D101500) intermediate. Daclatasvir inhibits the HCV protein NS5A and thus can be used as a drug candidate for the treatment of hepatitis C (HCV).

Synthesis

1009119-82-7

1007882-23-6

General procedure for the synthesis of (2S,2'S)-di-tert-butyl 2,2'-(4,4'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-imidazole-4,2-diyl))bis(pyrrolidine-1-carboxylate) from DACLATASVIR INTERMEDIATE - daclatasvir intermediate: a mixture of 3 (2 g, 3.01 mmol) and NH4OAc (4.65 g, 60.3 mmol) in toluene (30 mL) was heated to reflux at 130 °C for 15 hours. Upon completion of the reaction, the volatile components were removed by distillation under reduced pressure. The residue was partitioned between CH2Cl2 and H2O until saturation was reached. Saturated aqueous NaHCO3 was added to neutralize the aqueous phase. The aqueous phase was extracted with CH2Cl2, the organic phases were combined, dried over anhydrous MgSO4, filtered and concentrated under reduced pressure. The residue was purified by fast column chromatography (silica gel; 50% EtOAc/hexane as eluent) to give product 4 as a white solid (1.6 g, 85% yield).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 16, p. 3147 - 3150
[2] Patent: US2009/43107, 2009, A1. Location in patent: Page/Page column 8
[3] Patent: WO2010/138368, 2010, A1. Location in patent: Page/Page column 148-149
[4] Patent: KR101508022, 2015, B1. Location in patent: Paragraph 0136-0138
[5] Patent: CN106496199, 2017, A. Location in patent: Paragraph 0043; 0061; 0070; 0071; 0072

1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)- Preparation Products And Raw materials

Raw materials

Preparation Products

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1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)- Suppliers

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View Lastest Price from 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)- manufacturers

Nanjing Fred Technology Co., Ltd

Product: (2S,2'S)-di-tert-butyl 2,2'-(4,4'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-iMidazole-4,2-diyl))bis(pyrrolidine-1-carboxylate) 1007882-23-6
Price: US $0.00-0.00/kg
Min. Order: 1kg
Purity: 98%
Supply Ability: 1 ton
Release date: 2024-01-05

Henan Fengda Chemical Co., Ltd

Product: 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H 1007882-23-6
Price: US $35.00-0.90/kg
Min. Order: 1kg
Purity: 99%
Supply Ability: g-kg-tons, free sample is available
Release date: 2024-03-22

Career Henan Chemical Co

Product: (2S,2'S)-2,2'-([1,1'-Biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic acid 1,1'-bis(1,1-dimethylethyl) ester 1007882-23-6
Price: US $2.00/KG
Min. Order: 1KG
Purity: 98%
Supply Ability: 200KG
Release date: 2018-08-15

1007882-23-6, 1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-Related Search:

methyl((S)-3-methyl-1-oxo-1-((S)-2-(6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzo[d]imidazol-2-yl)pyrrolidin-1-yl)butan-2-yl)carbamate Daclatasvir 4,4'-Bis(2-bromoacetyl)biphenyl

(2S,2'S)-2,2'-[(1,1'-biphenyl)-4,4'-diyldi-1H-imidazole-5,2-diyl]bis-1-pyrrolidinecarboxylic acid ,1,1'-bis(1,1-dimethylethyl) ester

Daclatasvir Intermediates Ⅱ

Dacaltasvir Intermediate 02

Daclatasvir Intermediates

di-tert-butyl2,2'-([1,1'-biphenyl]-4,4'-diylbis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyrrolidine-1-carboxylate)

Methyl-N-[(2S)-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Daclatasvir Intermediates 4

Bis(2-methyl-2-propanyl) (2S,2'S)-2,2'-[4,4'-biphenyldiylbis(1H-imidazole-4,2-diyl)]di(1-pyrrolidinecarboxylate)

Di-tert-butyl2,2'-([1,1'-biphenyl]-4,4'-diylbis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyridineidine-1-

Di-tert-butyl2,2'-([1,1'-biphenyl]-4,4'-diylbis(1H-imidazole-5,2-diyl))(2S,2'S)-bis(pyridineidine-1-carboxylate)

2-(5-(4'-(2-((S)-1-(tert-butoxycarbonyl)pyrrolidin-2-yl)-1H-imidazol-4-yl)-[1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

Daclatasvir intermediate 02

1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-nyl

1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-iMidazole-5,2-diyl)bis-, 1,1'-bis(1,1-diMethylethyl) ester, (2S,2'S)-

(2S,2'S)-di-tert-butyl 2,2'-(4,4'-([1,1'-biphenyl]-4,4'-diyl)bis(1H-iMidazole-4,2-diyl))bis(pyrrolidine-1-carboxylate)

(2S,2'S)-

di-tert-butyl (2S,2'S)-2,2'-(4,4'-biphenyldiylbis(1H-imidazole-5,2-diyl))di(1-pyrrolidinecarboxylate)

EOS-61352

Daclatasvir Intermediate-2

HCV-IN-30

(2S,2''S)-Di-tert-butyl 2,2''-(5,5''-([1,1''-biphenyl]-4,4''-diyl)bis(1h-imidazole-5,2-diyl))bis(pyrrolidine-1-carboxylate)

1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diy...

1-Pyrrolidinecarboxylic acid,2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis-

1,1'-Bis(1,1-dimethylethyl) (2S,2'S)-2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis[1-pyrrolidinecarboxylate

Intermediate II of Dacatavir

2-(4-{4'-[2-((2S)-1-tert-butoxycarbonyl-pyrrolidin-2-yl)-1H-imidazol-4-yl]-biphenyl-4-yl}-1H-imidazol-2-yl)-(2S)-pyrrolidine-1-carboxylic acid tert-butyl ester

1-Pyrrolidinecarboxylic acid, 2,2'-([1,1'-biphenyl]-4,4'-diyldi-1H

HCV-IN-30, 10 mM in DMSO

(2S,2'S)-2,2'-([1,1'-Biphenyl]-4,4'-diyldi-1H-imidazole-5,2-diyl)bis-1-pyrrolidinecarboxylic acid 1,1'-bis(1,1-dimethylethyl) ester

1,1'-Bis(tert-butyl) (2S,2'S)-2,2'-(biphenyl-4,4'-diyldi-1H-imidazol-5,2-diyl)bis[pyrrolidine-1-carboxylate

1007882-23-6

C36H44N6O4

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