6-(2-Mercaptoacetylamino)-N-Phenylhexanamide

Base Information

Chemical Name:6-(2-Mercaptoacetylamino)-N-Phenylhexanamide
CAS No.:824970-14-1
Molecular Formula:C14H20N2O2S
Molecular Weight:280.391
Hs Code.:
UNII:AC74GBC7QX
ChEMBL ID:CHEMBL178727
DSSTox Substance ID:DTXSID50465903
Nikkaji Number:J2.120.646F
Wikidata:Q27457057

Synonyms:6-(2-mercaptoacetamido)-N-phenylhexanamide;AC74GBC7QX;824970-14-1;6-(2-Mercaptoacetylamino)-N-Phenylhexanamide;UNII-AC74GBC7QX;CHEMBL178727;N-Phenyl-6-(2-sulfanylethanoylamino)hexanamide;Hexanamide, 6-((mercaptoacetyl)amino)-N-phenyl-;Hexanamide, 6-((2-mercaptoacetyl)amino)-N-phenyl-;4cqf;N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide;SCHEMBL5998899;DTXSID50465903;BDBM50157884;PD182698;N-phenyl-6-[(sulfanylacetyl)amino]hexanamide;6-(2-Mercapto-acetylamino)-hexanoic acid phenylamide;Q27457057;9Z8

Suppliers and Price of 6-(2-Mercaptoacetylamino)-N-Phenylhexanamide

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
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price

Total 2 raw suppliers

Chemical Property of 6-(2-Mercaptoacetylamino)-N-Phenylhexanamide

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:8
Exact Mass:280.12454906
Heavy Atom Count:19
Complexity:279

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)NC(=O)CCCCCNC(=O)CS

Technology Process of 6-(2-Mercaptoacetylamino)-N-Phenylhexanamide

There total 14 articles about 6-(2-Mercaptoacetylamino)-N-Phenylhexanamide 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: 80.0%

: 824970-11-8
thioacetic acid S-[(5-phenylcarbamoyl-pentylcarbamoyl)-methyl] ester

: 824970-14-1
6-(2-mercaptoacetylamino)-hexanoic acid phenylamide

Guidance literature:: With sodium hydroxide; In water; acetone; at 0 - 20 ℃; for 6h;
DOI:10.1016/j.bmc.2005.12.047

Reference yield:

: 6404-29-1
6-(tert-butoxycarbonylamino)hexanoic acid

: 824970-14-1
6-(2-mercaptoacetylamino)-hexanoic acid phenylamide

Guidance literature:: Multi-step reaction with 4 steps

1.1: DIC; HOBt; DIPEA / dimethylformamide / 0.17 h / 0 °C

1.2: 92 percent / dimethylformamide / 0 - 20 °C

2.1: 99 percent / TFA / CH₂Cl₂ / 1 h / 20 °C

3.1: 88 percent / PyBOP; DIPEA / dimethylformamide / 20 °C

4.1: 80 percent / NaOH / acetone; H₂O / 6 h / 0 - 20 °C

With sodium hydroxide; benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; benzotriazol-1-ol; dacarbazine; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; In dichloromethane; water; N,N-dimethyl-formamide; acetone;
DOI:10.1016/j.bmc.2005.12.047

Reference yield:

: 111-16-0
heptanedioic acid

: 824970-14-1
6-(2-mercaptoacetylamino)-hexanoic acid phenylamide

Guidance literature:: Multi-step reaction with 6 steps

1.1: 49 percent / 1 h / 180 °C

2.1: Et₃N; diphenylphosphoryl azide / benzene / 1 h / Heating

2.2: 63 percent / benzene / 24 h / Heating

3.1: 96 percent / H₂ / Pd/C / methanol / 7 h / 20 °C / atmospheric pressure

4.1: 23 percent / Et₃N / tetrahydrofuran / 0.5 h / 20 °C

5.1: 48 mg / ethanol / 16 h / 20 °C

6.1: 38 mg / K₂CO₃ / methanol / 1 h / 20 °C

With diphenylphosphoranyl azide; hydrogen; potassium carbonate; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; ethanol; benzene; 2.1: Curtius rearrangement;
DOI:10.1021/jm049207j