CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester

Product Name: CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester
CAS No.: 274693-53-7
Chemical Name: CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester
Synonyms: Ticagrelor Impurity 138;Ticagrelor Related Compound 109;CarbaMic acid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-;Carbamicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dim...;Benzyl ((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d];(3aR,4S,6R,6aS)-6-(Boc-amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol;Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetra-hydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ca;Benzyl (3aS,4R,6S,6aR)-(6-hydroxy-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl)-carbamate;benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate;benzyl((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)carbamate
CBNumber: CB12548813
Molecular Formula: C16H21NO5
Formula Weight: 307.34
MOL File: 274693-53-7.mol

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CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester Property

Melting point:: 117 - 119°C
Boiling point:: 489.1±45.0 °C(Predicted)
Density: 1.28
storage temp.: Inert atmosphere,Store in freezer, under -20°C
solubility: Acetonitrile (Slightly), DMSO (Slightly), Methanol (Slightly)
form: Solid
pka: 11.41±0.60(Predicted)
color: White to Off-White
InChI: InChI=1S/C16H21NO5/c1-16(2)21-13-11(8-12(18)14(13)22-16)17-15(19)20-9-10-6-4-3-5-7-10/h3-7,11-14,18H,8-9H2,1-2H3,(H,17,19)/t11-,12+,13+,14-/m1/s1
InChIKey: VPICQZQITAJOQA-ZOBORPQBSA-N
SMILES: C(OCC1=CC=CC=C1)(=O)N[C@H]1[C@@]2([H])[C@@]([H])([C@@H](O)C1)OC(C)(C)O2

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

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

P271Use only outdoors or in a well-ventilated area.

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

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

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

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

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

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P330Rinse mouth.

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

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

P362Take off contaminated clothing and wash before reuse.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: P319221
Product name: PhenylmethylesterN-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-Carbamicacid
Packaging: 10g
Price: $185
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H56-1-760
Product name: Benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate
Purity: 97.0%
Packaging: 250mg
Price: $190
Updated: 2021/12/16

ChemScene

Product number: CS-M1243
Product name: benzyl(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ylcarbamate
Purity: 98.47%
Packaging: 25g
Price: $178
Updated: 2021/12/16

American Custom Chemicals Corporation

Product number: CCH0032676
Product name: BENZYL-((3AS,4R,6S,6AR)-6-HYDROXY-2,2-DIMETHYLTETRAHYDRO-3AH-CYCLOPENTA[D][1,3]DIOXOL-4-YL)CARBAMATE
Purity: 95.00%
Packaging: 1G
Price: $376.95
Updated: 2021/12/16

SynQuest Laboratories

Product number: 4H56-1-760
Product name: Benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate
Purity: 97.0%
Packaging: 1g
Price: $490
Updated: 2021/12/16

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CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester Chemical Properties,Usage,Production

Uses

Phenylmethyl ester N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-Carbamic acid is a useful chiral building block. It has been used in the synthesis of all-cis carbocyclic precursor of ticagrelor via oxidation/stereoselective reduction sequences.

Synthesis

501-53-1

155899-66-4

274693-53-7

Step 7: To a tetrahydrofuran:water mixture of (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopentadieno[d][1,3]dioxol-4-ol (17.0 g, 98.15 mmol, 1.00 eq.) and sodium carbonate (20.8 g, 196.24 mmol, 2.00 eq.) at 0°C (5:1, 600 mL) mixed solution, benzyl chloroformate (18.4 g, 107.86 mmol, 1.05 eq.) was slowly added. After completion of the reaction, extraction was carried out with ethyl acetate (3×200 mL) and the organic phases were combined to give the title compound N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopentaeno-1,3-dioxolan-4-yl]carbamic acid benzyl ester as a white solid (20.5 g, 68% yield) after standard post-processing. The product was characterized by 1H NMR (300 MHz, CDCl3), δ: 7.30-7.39 (m, 5H), 5.20 (s, 2H), 4.60 (d, J=5.4 Hz, 1H), 4.50 (d, J=5.4 Hz, 1H), 4.27 (s, 1H), 4.19 (d, J=5.7 Hz, 1H), 2.26 (m. 1H), 1.71 (d, J=14.4Hz, 1H), 1.47 (s, 3H), 1.28 (s, 3H).

References

[1] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 21, p. 6013 - 6018
[2] Patent: WO2011/17108, 2011, A2. Location in patent: Page/Page column 38
[3] Bioorganic and Medicinal Chemistry Letters, 2012, vol. 22, # 11, p. 3598 - 3602
[4] Patent: WO2012/138981, 2012, A2. Location in patent: Page/Page column 38
[5] Patent: CN106279095, 2017, A. Location in patent: Paragraph 0023; 0046

CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester Suppliers

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View Lastest Price from CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester manufacturers

Career Henan Chemical Co

Product: CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester 274693-53-7
Price: US $2.00/KG
Min. Order: 1KG
Purity: 99%
Supply Ability: 20kg
Release date: 2018-08-07

274693-53-7, CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl esterRelated Search:

N-[(3aS,4R,6S,6aR)-Tetrahydro-6-(2-hydroxyethoxy)-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamic acid phenylmethyl ester Acetic acid, [[(3aR,4S,6R,6aS)-tetrahydro-2,2-diMethyl-6-[[(phenylMethoxy)carbonyl]aMino]-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, ethyl ester Ticagrelor Related Compound 151 Ticagrelor Related Compound 150 TICAGRELOR 2-((3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yloxy)ethanol L-tataric acid 4,6-dichloro-2-propylthiopyrimidine-5-amine 4,6-DICHLORO-5-NITRO-2-PROPYLTHIOPYRIMIDINE (3aR,4S,6R,6aS)-6-Aminotetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-ol (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine (2R)-Hydroxy(phenyl)ethanoate 1-Acetyladamantane Intermediate (1R trans)-2-(3,4-difluorophenyl)cyclopropane amine. HCl Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[[5-aMino-6-chloro-2-(propylthio)-4-pyriMidinyl]aMino]tetrahydro-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]- ethyCyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)- (REACH) (1R,2R)-2-(3,4-difluorophenyl)cyclopropane carboxaMide (1R trans)-2-(3,4-difluorophenyl)cyclopropane amine Cyclopropanamine,2-(3,4-difluorophenyl)-(1R,2S) -(2R,3R)-2,3-dihydroxybutanedioate (1:1)

CarbaMicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester

Benzyl((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)carbamate-Tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamic acid phenyl methyl ester

N-[(3aS,4R,6S,6aR)-Tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]carbamicacid phenylmethyl ester

N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-diMethyl-4H-cyclopenta-1,3-dioxol-4-yl]-,phenylMethyl ester

((3AS 4R 6S 6AR)6-HYDROXY-2,2-DIMETHYL-TETRAHYDROCYCLOPENTA(1,3)DIOXOL 4,YL)CARBAMIC ACID BENZYL ESTER

Benzyl((3aS, 4R, 6S, 6aR)-6-hydroxy-2,2-diMethyltetrahydro-3aH-cyclopenta[1,3]-dioxol-4yl)carbaMate

CarbaMic acid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-

benzyl N-[(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]carbamate

benzyl((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-yl)carbamate

Benzyl [(3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetra-hydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]ca

Phenylmethyl ester N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]-Carbamic acid

Ticagrelor Impurity 138

Carbamicacid,N-[(3aS,4R,6S,6aR)-tetrahydro-6-hydroxy-2,2-dim...

Benzyl ((3aS,4R,6S,6aR)-6-hydroxy-2,2-dimethyltetrahydro-3aH-cyclopenta[d]

Ticagrelor Related Compound 109

(3aR,4S,6R,6aS)-6-(Boc-amino)-2,2-dimethyltetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-ol

Benzyl (3aS,4R,6S,6aR)-(6-hydroxy-2,2-dimethyl-tetrahydro-cyclopenta[1,3]dioxol-4-yl)-carbamate

274693-53-7