Carbamic acid, N-((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(((1S)-1-phenylethyl)amino)ethyl)-, 2-benzofuranylmethyl ester

Base Information

Chemical Name:Carbamic acid, N-((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(((1S)-1-phenylethyl)amino)ethyl)-, 2-benzofuranylmethyl ester
CAS No.:158991-23-2
Molecular Formula:C30H29 N3 O4
Molecular Weight:495.578
Hs Code.:
UNII:QK6IAJLA0M
DSSTox Substance ID:DTXSID201107758
Nikkaji Number:J652.749C
Pharos Ligand ID:XLQNSKBW6ZCK
ChEMBL ID:CHEMBL307488

Synonyms:((2-benzofuran)-CH2OCO)-(R)-alpha-MeTrp-(S)-NHCH(CH3)Ph;2-benzofuranylmethoxycarbonyl-alpha-methyltryptophan-N-(1-phenylethyl)amide;PD 154075;PD-154075;(1-(1H-indol-3-ylmethyl)-1-methyl-2--oxo-2-((1-phenylethyl)amino)ethtyl)carbamic acid 2-benzofuranylmethyl ester;CI 1021;CI-1021;CI1021

Suppliers and Price of Carbamic acid, N-((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(((1S)-1-phenylethyl)amino)ethyl)-, 2-benzofuranylmethyl ester

Supply Marketing:

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

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Total 1 raw suppliers

Chemical Property of Carbamic acid, N-((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(((1S)-1-phenylethyl)amino)ethyl)-, 2-benzofuranylmethyl ester

Chemical Property:

XLogP3:5.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:495.21580641
Heavy Atom Count:37
Complexity:787

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4
Isomeric SMILES:C[C@@H](C1=CC=CC=C1)NC(=O)[C@@](C)(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC5=CC=CC=C5O4

Technology Process of Carbamic acid, N-((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(((1S)-1-phenylethyl)amino)ethyl)-, 2-benzofuranylmethyl ester

There total 3 articles about Carbamic acid, N-((1R)-1-(1H-indol-3-ylmethyl)-1-methyl-2-oxo-2-(((1S)-1-phenylethyl)amino)ethyl)-, 2-benzofuranylmethyl 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: 74.0%

: 2627-86-3
(S)-1-phenyl-ethylamine

: (R)-N-[(benzo[b]furan-2-yl-methoxy)carbonyl]-2-methyltryptophan

: 158991-23-2
PD 154075

Guidance literature:: With 4-methyl-morpholine; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In N,N-dimethyl-formamide; at 20 ℃; for 30h;
DOI:10.1002/1099-1344(20001015)43:11<1087::AID-JLCR394>3.0.CO;2-7

Reference yield:

: 15754-20-8
(E)-acetophenone O-methyloxime

: 158991-23-2
PD 154075

Guidance literature:: Multi-step reaction with 2 steps

1: 1S,2R-1-aminoindan-2-ol; BH₃-THF / tetrahydrofuran / -20 - 70 °C

2: 74 percent / HOBt; EDC; NMM / dimethylformamide / 30 h / 20 °C

With 4-methyl-morpholine; borane-THF; (1S,2R)-1-amino-2-indanol; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; N,N-dimethyl-formamide; 1: Reduction / 2: Acylation;
DOI:10.1002/1099-1344(20001015)43:11<1087::AID-JLCR394>3.0.CO;2-7

Reference yield:

: 98-86-2
acetophenone

: 158991-23-2
PD 154075

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / pyridine; MgSO₄ / ethanol / 20 h / 20 °C

2: 1S,2R-1-aminoindan-2-ol; BH₃-THF / tetrahydrofuran / -20 - 70 °C

3: 74 percent / HOBt; EDC; NMM / dimethylformamide / 30 h / 20 °C

With 4-methyl-morpholine; pyridine; borane-THF; magnesium sulfate; (1S,2R)-1-amino-2-indanol; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; ethanol; N,N-dimethyl-formamide; 1: Condensation / 2: Reduction / 3: Acylation;
DOI:10.1002/1099-1344(20001015)43:11<1087::AID-JLCR394>3.0.CO;2-7