tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate

Base Information

Chemical Name:tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate
CAS No.:132565-33-4
Molecular Formula:C₄₀H₅₁N₅O₅
Molecular Weight:681.875
Hs Code.:

tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate

Synonyms:L 687908;L-687,908

Suppliers and Price of tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate

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

American Custom Chemicals Corporation
L 687908 95.00%
5MG
$ 495.24

Total 1 raw suppliers

Chemical Property of tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:961.3°Cat760mmHg
Flash Point:535.2°C
PSA：145.44000
Density:1.179g/cm³
LogP:7.48940
XLogP3:6.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:681.38901974
Heavy Atom Count:50
Complexity:1080

Purity/Quality:

99% ^*data from raw suppliers

L 687908 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)C(CC=CC3=CC=CC=C3)CC(C(CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O
Isomeric SMILES:CCC(C)C(C(=O)NCC1=NC2=CC=CC=C2N1)NC(=O)[C@H](C/C=C/C3=CC=CC=C3)C[C@@H]([C@H](CC4=CC=CC=C4)NC(=O)OC(C)(C)C)O

Technology Process of tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate

There total 6 articles about tert-butyl N-[(E,2S,3S,5R)-5-[[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate 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:

: [(E)-(1S,2S,4R)-4-{(S)-1-[(1H-Benzoimidazol-2-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-benzyl-2-(tert-butyl-dimethyl-silanyloxy)-7-phenyl-hept-6-enyl]-carbamic acid tert-butyl ester

: 132565-33-4
((E)-(1S,2S,4R)-4-{(S)-1-[(1H-Benzoimidazol-2-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-benzyl-2-hydroxy-7-phenyl-hept-6-enyl)-carbamic acid tert-butyl ester

Guidance literature:: With tetrabutyl ammonium fluoride; In tetrahydrofuran; for 18h; Ambient temperature;
DOI:10.1021/jm00107a050

Reference yield:

: 135832-61-0
2-<(L-isoleucino)methyl>benzimidazole

: 132565-33-4
((E)-(1S,2S,4R)-4-{(S)-1-[(1H-Benzoimidazol-2-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-benzyl-2-hydroxy-7-phenyl-hept-6-enyl)-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: EDC, HOBt / dimethylformamide / pH = 8.0-9.0

2: tetrabutylammonium fluoride / tetrahydrofuran / 18 h / Ambient temperature

With tetrabutyl ammonium fluoride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm00107a050

Reference yield:

: C₃₈H₆₁NO₅Si₂

: 132565-33-4
((E)-(1S,2S,4R)-4-{(S)-1-[(1H-Benzoimidazol-2-ylmethyl)-carbamoyl]-2-methyl-butylcarbamoyl}-1-benzyl-2-hydroxy-7-phenyl-hept-6-enyl)-carbamic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: MeOH / 1 h

2: EDC, HOBt / dimethylformamide / pH = 8.0-9.0

3: tetrabutylammonium fluoride / tetrahydrofuran / 18 h / Ambient temperature

With methanol; tetrabutyl ammonium fluoride; benzotriazol-1-ol; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm00107a050