(S)-tert-butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate

Base Information

Chemical Name:(S)-tert-butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate
CAS No.:865202-97-7
Molecular Formula:C₃₆H₅₁N₅O₆
Molecular Weight:649.831
Hs Code.:
UNII:9W7SBY9CZX
Mol file:865202-97-7.mol

Synonyms:(S)-tert-butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate;865202-97-7;9W7SBY9CZX;SCHEMBL14303642;1,1-Dimethylethyl 2-[[[4-[bis[(1,1-dimethylethoxy)carbonyl]amino]butyl][(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino]methyl]-1H-benzimidazole-1-carboxylate;1H-Benzimidazole-1-carboxylic acid, 2-[[[4-[bis[(1,1-dimethylethoxy)carbonyl]amino]butyl][(8S)-5,6,7,8-tetrahydro-8-quinolinyl]amino]methyl]-, 1,1-dimethylethyl ester;tert-Butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate, (S)-;tert-Butyl 2-[[4-[bis(tert-butoxycarbonyl)amino]butyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazole-1-carboxylate

Suppliers and Price of (S)-tert-butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate

Supply Marketing:

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

Manufacturers and distributors:

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Total 3 raw suppliers

Chemical Property of (S)-tert-butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate

Chemical Property:

PSA：116.09000
LogP:8.04650
XLogP3:6.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:14
Exact Mass:649.38393436
Heavy Atom Count:47
Complexity:1040

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1CN(CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3CCCC4=C3N=CC=C4
Isomeric SMILES:CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1CN(CCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@H]3CCCC4=C3N=CC=C4

Technology Process of (S)-tert-butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate

There total 2 articles about (S)-tert-butyl 2-(((4-(bis(tert-butoxycarbonyl)amino)butyl)(5,6,7,8-tetrahydroquinolin-8-yl)amino)methyl)-1H-benzo[d]imidazole-1-carboxylate 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:

: 865202-96-6
C₂₃H₃₇N₃O₄*ClH

: 163798-87-6
1-Boc-2-chloromethylbenzimidazole

: 865202-97-7
C₃₆H₅₁N₅O₆

Guidance literature:: C₂₃H₃₇N₃O₄*ClH; 1-Boc-2-chloromethylbenzimidazole; With dmap; N-ethyl-N,N-diisopropylamine; potassium iodide; In acetonitrile; at 60 ℃; for 24h;

With hydrogenchloride; In water; pH=2 - 3; Product distribution / selectivity;

Reference yield:

: 4857-04-9
2-chloromethyl-1H-benzimidazole

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

: 865202-97-7
C₃₆H₅₁N₅O₆

Guidance literature:: Multi-step reaction with 2 steps

1: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 1.5 h / 40 °C

2: tetra-(n-butyl)ammonium iodide; N-ethyl-N,N-diisopropylamine / acetonitrile

With tetra-(n-butyl)ammonium iodide; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; acetonitrile;

Reference yield: 78.0%

: 865202-97-7
C₃₆H₅₁N₅O₆

: 558447-26-0
AMD₀₇₀

Guidance literature:: C₃₆H₅₁N₅O₆; With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 20h; pH=2;

With sodium hydroxide; In tetrahydrofuran; water; at 0 ℃; pH=6; Product distribution / selectivity;