ChemicalBook > CAS DataBase List > 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)-

2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)-

Application

Product Name: 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)-
CAS No.: 1256387-74-2
Chemical Name: 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)-
Synonyms: PLD-74-2;Dipavir intermediate;Ledipasvir Impurity 8;Ledipasvir side chain 2;Ledipasvir interMediates;Ledipasvir Intermediate 06;Benzenesulfonicacid,4-methyl-,3-methylpropylester;(1R,3S,4S)-3-(6-Bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2...;(1R,3S,4S)-2-Boc-3-(6-bromo-2-benzimidazolyl)-2-azabicyclo[2.2.1]heptane;(IR,35,4S)-3-(6-Bromo-IH-benzimidazol-2-yl)-2-azabicyclo[2.2.1lheptane-2-c
CBNumber: CB42715988
Molecular Formula: C18H22BrN3O2
Formula Weight: 392.29
MOL File: 1256387-74-2.mol

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2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- Property

Boiling point:: 554.3±30.0 °C(Predicted)
Density: 1.455±0.06 g/cm3(Predicted)
storage temp.: 2-8°C
pka: 10.68±0.10(Predicted)
Appearance: White to yellow Solid
InChI: InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-12-6-4-10(8-12)15(22)16-20-13-7-5-11(19)9-14(13)21-16/h5,7,9-10,12,15H,4,6,8H2,1-3H3,(H,20,21)/t10-,12+,15-/m0/s1
InChIKey: IODPTNKFQCJTSI-NVBFEUDRSA-N
SMILES: [C@]12([H])C[C@]([H])(CC1)[C@@H](C1NC3=CC(Br)=CC=C3N=1)N2C(OC(C)(C)C)=O

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P330Rinse mouth.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

AK Scientific

Product number: 9852BB
Product name: (1R,3S,4S)-Tert-butyl3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Packaging: 1g
Price: $232
Updated: 2021/12/16

AK Scientific

Product number: 9852BB
Product name: (1R,3S,4S)-Tert-butyl3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Packaging: 5g
Price: $546
Updated: 2021/12/16

Ambeed

Product number: A279141
Product name: (1R,3S,4S)-tert-Butyl3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Purity: 95%
Packaging: 250mg
Price: $37
Updated: 2021/12/16

Ambeed

Product number: A279141
Product name: (1R,3S,4S)-tert-Butyl3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Purity: 95%
Packaging: 1g
Price: $78
Updated: 2021/12/16

Crysdot

Product number: CD11314404
Product name: (1R,3S,4S)-tert-Butyl3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate
Purity: 97%
Packaging: 1g
Price: $99
Updated: 2021/12/16

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2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- Chemical Properties,Usage,Production

Application

(1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester can be used as a pharmaceutical synthesis intermediate, such as Harvoni, a combination of the novel antiviral NS5A inhibitor Letipasvir (GS5885) and the NS5B blocker Sofosbuvir, which is a blockbuster hepatitis C treatment drug approved by Gilead in December 2013.

Synthesis

1256387-73-1

1256387-74-2

General procedure for the synthesis of tert-butyl (1R,3S,4S)-3-[(2-amino-4-bromophenyl)carbamoyl]methyl-2-azabicyclo[2.2.1]heptane-2-carboxylate from (1R,3S,4S)-3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate: 1. 3-[(2-amino-4-bromophenyl)carbamoyl]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid tert-butyl ester (617) was dissolved in ethanol, placed in a sealed tube and heated at 130 °C overnight, then warmed to 170 °C and continued to heat for 3 days. The reaction was monitored by LC-MS, showing the generation of a mixture of the target product and the Boc protecting group cleavage product (in a ratio of about 1:1). 2. Upon completion of the reaction, the reaction mixture was concentrated and then dissolved in hydrochloric acid. 3. di-tert-butyl dicarbonate (0.6 eq.) was added to the solution and the reaction mixture was stirred overnight at room temperature. 4. The reaction mixture was concentrated and purified by fast column chromatography (silica gel as stationary phase, eluent 20% to 80% ethyl acetate/hexane gradient) to afford the target product (1R,3S,4S)-tert-butyl 3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2- azabicyclo[2.2.1]heptane-2- carboxylate (618, 0.383 g, yield 72%) as an orange foamy solid.

References

[1] Patent: WO2013/40492, 2013, A2. Location in patent: Page/Page column 91
[2] Journal of Medicinal Chemistry, 2014, vol. 57, # 5, p. 2033 - 2046

2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- Preparation Products And Raw materials

Raw materials

Preparation Products

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2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- Suppliers

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View Lastest Price from 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- manufacturers

Shaanxi Dideu Medichem Co. Ltd

Product: Ledipasvir interMediates;(1R,3S,4S)-tert-butyl 3-(6-broMo-1Hbenzo[d]iMidazol-2-yl)-2-azabicyclo[2,2,1] heptanes-2-carboxylate 1256387-74-2
Price: US $0.00-0.00/KG
Min. Order: 5g
Purity: 99%+
Supply Ability: 100 tons
Release date: 2019-12-25

Career Henan Chemical Co

Product: 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- 1256387-74-2
Price: US $1.00/kg
Min. Order: 1kg
Purity: 95%-99%
Supply Ability: 100kg
Release date: 2018-12-19

1256387-74-2, 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)-Related Search:

(S)-Amlodipine (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate (1S)-1-(diphenylphosphino)-2-[(1R)-1-(diphenylphosphino)ethyl]-Ferrocene (S)-1-[(R)-2-(DI-TERT.-BUTYLPHOSPHINO)FERROCENYL]ETHYLBIS(2-METHYLPHENYL)PHOSPHI (1R,2R)-(-)-1,2-Diaminocyclohexane (1S)-4,5-Dimethoxy-1-[(methylamino)methyl]benzocyclobutane hydrochloride Ledipasvir ledipasvir interMediate ledipasvir interMediate 2,7-DibroMo-9,9-difluoro-9H-fluorene (S)-2-((Methoxycarbonyl)aMino)-3-Methylbutanoic acid 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- (S)-5-BOC-5-AZASPIRO[2.4]HEPTANE-6-CARBOXYLIC ACID 1-(7-broMo-9,9-difluoro-9H-fluoren-2-yl)-2-chloro-Ethanone ledipasvir interMediate (3S)-N-Boc-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)-

(1R,3S,4S)-3-(6-Bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylic acid 1,1-dimethylethyl ester

(1R,3S,4S)-tert-butyl 3-(6-broMo-1H-benzo[d]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

(1R,3S,4S)-tert-butyl 3-(6-broMo-1Hbenzo[d]iMidazol-2-yl)-2-azabicyclo[2,2,1] heptanes-2-carboxylate

Ledipasvir interMediates

(1R,3S,4S)-3-(6-Bromo-1Hbenzimidazol-2-yl)-2-azabicyclo[2,2,1]heptane--2-carboxylic acid-1,1-dimethylethyleste

Ledipasvir side chain 2

tert-butyl (1R,3S,4S)-3-(6-bromo-1H-benzo[d]imidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

Ledipasvir Intermediate 06

(1R,3S4S)-3(6-Bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1] heptane-2-carboxylic acid 1,1-dimehylethyl ester

(IR,35,4S)-3-(6-Bromo-IH-benzimidazol-2-yl)-2-azabicyclo[2.2.1lheptane-2-c

(1R,3S,4S)-tert-butyl 3-(6-broMo-1H-benzo[d]iMidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate1256387-74-2

Ledipasvir Impurity 8

tert-butyl (1S,2S,4R)-2-(6-bromo-1H-benzimidazol-2-yl)-3-azabicyclo[2.2.1]heptane-3-carboxylate

tert-butyl(1R,3S,4S)-3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- ISO 9001：2015 REACH

2-Azabicyclo[2.2.1]heptane-2-carboxylicacid,3-(6-broMChemicalbooko-1H-benziMidazol-2-yl)-,1,1-diMethylethylester,(1R,3S,4S)-

(1R,3S,4S)-3-(6-Bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2...

Dipavir intermediate

Benzenesulfonicacid,4-methyl-,3-methylpropylester

Carbamicacid,[(1S,3R)-3-(aminomethyl)cyclop entyl]-,1,1-dimethylethylester(13CI)

2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 3-(6-broMo-1H-benziMidazol-2-yl)-, 1,1-diMethylethyl ester,(1R,3S,4S)- 1

PLD-74-2

tert-butyl (1R,3S,4S)-3-(5-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

(1R,3S,4S)-2-Boc-3-(6-bromo-2-benzimidazolyl)-2-azabicyclo[2.2.1]heptane

tert-Butyl 3-(6-bromo-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptane-2-carboxylate

1256387-74-2