((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

Base Information

Chemical Name:((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester
CAS No.:183853-51-2
Molecular Formula:C₃₃H₅₃N₅O₄
Molecular Weight:583.815
Hs Code.:
ChEMBL ID:CHEMBL123142
DSSTox Substance ID:DTXSID201105221
Nikkaji Number:J898.725D

((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

Synonyms:CHEMBL123142;DTXSID201105221;BDBM50060746;((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester;183853-51-2;L-Prolinamide, 3,3-dicyclohexyl-N-[(1,1-dimethylethoxy)carbonyl]-D-alanyl-N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-

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

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Chemical Property of ((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

Chemical Property:

XLogP3:6.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:583.40975519
Heavy Atom Count:42
Complexity:893

Purity/Quality:: 98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=NC(=C1CNC(=O)C2CCCN2C(=O)C(C(C3CCCCC3)C4CCCCC4)NC(=O)OC(C)(C)C)C)N
Isomeric SMILES:CC1=CC(=NC(=C1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C(C3CCCCC3)C4CCCCC4)NC(=O)OC(C)(C)C)C)N

Technology Process of ((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl ester

There total 4 articles about ((R)-2-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidin-1-yl}-1-dicyclohexylmethyl-2-oxo-ethyl)-carbamic acid tert-butyl 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:

: 143060-31-5
N-(tert-butoxycarbonyl)-3,3-diphenyl-D-alanine

: 183853-51-2
((R)-1-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidine-1-carbonyl}-2,2-dicyclohexyl-ethyl)-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: 97 percent / H₂ / Ir black / aq. acetic acid / 48 h / 3206.3 Torr

2: 97 percent / HOBt, EDC, DIEA / dimethylformamide / 3.5 h

3: 96 percent / aq. LiOH / methanol / 3.5 h

4: HOBT, EDC, DIEA / various solvent(s) / 8 h / Ambient temperature

With lithium hydroxide; hydrogen; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; iridium; In methanol; acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/jm970493r

Reference yield:

: 769-27-7
6-amino-3-cyano-2,4-dimethylpyridine

: 183853-51-2
((R)-1-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidine-1-carbonyl}-2,2-dicyclohexyl-ethyl)-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) BH₃, 2.) aq.HCl / 1.) THF, 0 deg C, 5 h, 2.) THF, MeOH, overnight

2: HOBT, EDC, DIEA / various solvent(s) / 8 h / Ambient temperature

With hydrogenchloride; borane; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In various solvent(s);
DOI:10.1021/jm970493r

Reference yield:

: 183853-44-3
(S)-1-((R)-2-tert-Butoxycarbonylamino-3,3-dicyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid methyl ester

: 183853-51-2
((R)-1-{(S)-2-[(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-carbamoyl]-pyrrolidine-1-carbonyl}-2,2-dicyclohexyl-ethyl)-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 96 percent / aq. LiOH / methanol / 3.5 h

2: HOBT, EDC, DIEA / various solvent(s) / 8 h / Ambient temperature

With lithium hydroxide; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; N-ethyl-N,N-diisopropylamine; In methanol;
DOI:10.1021/jm970493r