(1S,3S)-N-Boc-1-aminocyclopentane-3-carboxylic acid methyl ester

Base Information

Chemical Name:(1S,3S)-N-Boc-1-aminocyclopentane-3-carboxylic acid methyl ester
CAS No.:329910-39-6
Molecular Formula:C₁₂H₂₁NO₄
Molecular Weight:243.303
Hs Code.:29221985
European Community (EC) Number:851-951-0
DSSTox Substance ID:DTXSID00370351
Nikkaji Number:J1.479.723H
Wikidata:Q82157537
Mol file:329910-39-6.mol

Synonyms:329910-39-6;(1S,3S)-N-BOC-1-AMINOCYCLOPENTANE-3-CARBOXYLIC ACID METHYL ESTER;methyl (1S,3S)-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylate;methyl (1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate;(1S,3S)-1-(Boc-amino)cyclopentane-3-carboxylic acid methyl ester;(1S,3S)-Methyl 3-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate;862700-37-6;methyl (1R,3R)-rel-3-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylate;ST50825900;SCHEMBL2378286;DTXSID00370351;ZZGMDDXYOHHJMT-IUCAKERBSA-N;MFCD02259728;AKOS015994472;PS-1012;CS-0049302;P10228;Methyl trans-3-(boc-amino)-cyclopentane-1-carboxylate;(1S,3S)-Methyl N-Boc-1-aminocyclopentane-3-carboxylate;Methyl (1S,3S)-3-Boc-Aminocyclopentane-1-Carboxylate;(1s, 3s)-N-Boc-1-aminocyclopentane-3-carboxylic acid methyl ester;(1S,3S)-Methyl3-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate;(1S,3S)-3-tert-butoxycarbonylamino-cyclopentanecarboxylic acid methyl ester;(1S,3S)-3-tert-Butoxycarbonylaminocyclopentanecarboxylic acid methyl ester;(1S)-3beta-(tert-Butoxycarbonylamino)cyclopentane-1alpha-carboxylic acid methyl ester;Cyclopentanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-,methyl ester, (1S,3S)-

Suppliers and Price of (1S,3S)-N-Boc-1-aminocyclopentane-3-carboxylic acid methyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Matrix Scientific
(1S,3S)-1-(Boc-amino)cyclopentane-3-carboxylicacidmethylester 95+%
1g
$ 4752.00

Labseeker
(1S,3S)-N-BOC-1-AMINOCYCLOPENTANE-3-CARBOXYLICACIDMETHYLESTER 95
20g
$ 4566.00

Crysdot
(1S,3S)-Methyl3-((tert-butoxycarbonyl)amino)cyclopentanecarboxylate 97%
100mg
$ 514.00

AK Scientific
(1S,3S)-N-Boc-1-aminocyclopentane-3-carboxylicacidmethylester
1g
$ 6465.00

Total 11 raw suppliers

Chemical Property of (1S,3S)-N-Boc-1-aminocyclopentane-3-carboxylic acid methyl ester

Chemical Property:

Vapor Pressure:0.000152mmHg at 25°C
Refractive Index:1.4596 (estimate)
Boiling Point:331.8°Cat760mmHg
Flash Point:154.5°C
PSA：64.63000
Density:1.08g/cm³
LogP:2.24370
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:243.14705815
Heavy Atom Count:17
Complexity:295

Purity/Quality:

99%, ^*data from raw suppliers

(1S,3S)-1-(Boc-amino)cyclopentane-3-carboxylicacidmethylester 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: S24/25:Avoid contact with skin and eyes.;

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)NC1CCC(C1)C(=O)OC
Isomeric SMILES:CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C1)C(=O)OC

Technology Process of (1S,3S)-N-Boc-1-aminocyclopentane-3-carboxylic acid methyl ester

There total 13 articles about (1S,3S)-N-Boc-1-aminocyclopentane-3-carboxylic acid methyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

: 1085842-51-8,180323-49-3,222530-45-2,1398534-59-2,222530-29-2
methyl (1S,3S)-3-aminocyclopentane-1-carboxylate hydrochloride

: 24424-99-5
di-tert-butyl dicarbonate

: 329910-39-6,1400583-12-1
(1S,3S)-1-(tert-butoxycarbonylamino)cyclopentane-3-carboxylic acid methyl ester

Guidance literature:: With triethylamine; In dichloromethane; at 0 - 20 ℃; for 1.5h;

Reference yield:

: 1-tert-Butyl 6-methyl (S)-2-aminohexanedioate hydrochloride

: 329910-39-6,1400583-12-1
(1S,3S)-1-(tert-butoxycarbonylamino)cyclopentane-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 89 percent / K₃PO₄ / nitromethane / 72 h / Ambient temperature

2: 89 percent / HCl / ethyl acetate / 24 h / Ambient temperature

3: 97 percent / tetrahydrofuran / 20 h / Ambient temperature

4: 97 percent / KHMDS / tetrahydrofuran / 1 h / -78 °C

5: 85 percent / NaBH₄ / methanol; tetrahydrofuran / 0.5 h

6: 1.) Et₃N, DMAP, methanesulfonyl chloride (MsCl), 2.) KOtBu / 1.) THF, 3 h, 0 deg C, 2.) THF, 15 min, 0 deg C

7: 1.) H₂ / 1.) Pd/C

With hydrogenchloride; dmap; sodium tetrahydroborate; potassium phosphate; potassium tert-butylate; hydrogen; potassium hexamethylsilazane; methanesulfonyl chloride; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; nitromethane; ethyl acetate;
DOI:10.1021/jo00061a006

Reference yield:

: 147698-07-5
(S)-2-hexanedioic acid γ-methyl ester

: 329910-39-6,1400583-12-1
(1S,3S)-1-(tert-butoxycarbonylamino)cyclopentane-3-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 5 steps

1: 97 percent / tetrahydrofuran / 20 h / Ambient temperature

2: 97 percent / KHMDS / tetrahydrofuran / 1 h / -78 °C

3: 85 percent / NaBH₄ / methanol; tetrahydrofuran / 0.5 h

4: 1.) Et₃N, DMAP, methanesulfonyl chloride (MsCl), 2.) KOtBu / 1.) THF, 3 h, 0 deg C, 2.) THF, 15 min, 0 deg C

5: 1.) H₂ / 1.) Pd/C

With dmap; sodium tetrahydroborate; potassium tert-butylate; hydrogen; potassium hexamethylsilazane; methanesulfonyl chloride; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol;
DOI:10.1021/jo00061a006