Utibaprilat

Base Information

Chemical Name:Utibaprilat
CAS No.:109683-79-6
Molecular Formula:C20H27 N3 O5 S
Molecular Weight:421.515
Hs Code.:
UNII:KN82541NHV
DSSTox Substance ID:DTXSID10149015
Nikkaji Number:J363.537F
Wikidata:Q27282341
NCI Thesaurus Code:C72914
ChEMBL ID:CHEMBL342372
Mol file:109683-79-6.mol

Synonyms:Utibaprilat;109683-79-6;Utibaprilat [INN:BAN];UNII-KN82541NHV;KN82541NHV;CHEMBL342372;(2S)-5-tert-butyl-3-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]propanoyl]-2H-1,3,4-thiadiazole-2-carboxylic acid;(S)-2-tert-Butyl-4-((S)-N-((S)-1-carboxy-3-phenylpropyl)alanyl-delta(sup 2)-1,3,4-thiadiazoline-5-carboxylic acid;UTIBAPRILAT [INN];UTIBAPRILAT [WHO-DD];SCHEMBL1229933;DTXSID10149015;CS-AD-00572;BDBM50011193;FPL-63674;Q27282341;5-tert-Butyl-3-[2-(1-carboxy-3-phenyl-propylamino)-propionyl]-2,3-dihydro-[1,3,4]thiadiazole-2-carboxylic acid(FPL 63674)

Suppliers and Price of Utibaprilat

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
UTIBAPRILAT 95.00%
5MG
$ 504.67

Total 3 raw suppliers

Chemical Property of Utibaprilat

Chemical Property:

Vapor Pressure:1.26E-15mmHg at 25°C
Boiling Point:607.8°Cat760mmHg
Flash Point:321.4°C
PSA：144.60000
Density:1.31g/cm³
LogP:2.16060
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:421.16714214
Heavy Atom Count:29
Complexity:655

Purity/Quality:

99% ^*data from raw suppliers

UTIBAPRILAT 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)N1C(SC(=N1)C(C)(C)C)C(=O)O)NC(CCC2=CC=CC=C2)C(=O)O
Isomeric SMILES:C[C@@H](C(=O)N1[C@@H](SC(=N1)C(C)(C)C)C(=O)O)N[C@@H](CCC2=CC=CC=C2)C(=O)O

Technology Process of Utibaprilat

There total 9 articles about Utibaprilat 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:

: (S)-3-[(S)-2-((S)-1-Benzyloxycarbonyl-3-phenyl-propylamino)-propionyl]-5-tert-butyl-2,3-dihydro-[1,3,4]thiadiazole-2-carboxylic acid benzyl ester

: 109683-79-6
Utibaprilat

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; for 16h; Ambient temperature;
DOI:10.1021/jm00105a066

Reference yield:

: 93114-01-3
1,1-dimethylethanethioic acid hydrazide

: 109683-79-6
Utibaprilat

Guidance literature:: Multi-step reaction with 4 steps

1: 84 percent / ethanol / 16 h / Ambient temperature

2: 1-hydroxybenzotriazole, dicyclohexylcarbodiimide / CH₂Cl₂ / 16 h / Ambient temperature

3: pyrrolidine, 3A molecular sieves / acetonitrile / 6 h / Ambient temperature

4: H₂ / 10percent Pd/C / ethanol / 16 h / Ambient temperature

With pyrrolidine; 3 A molecular sieve; hydrogen; benzotriazol-1-ol; dicyclohexyl-carbodiimide; palladium on activated charcoal; In ethanol; dichloromethane; acetonitrile;
DOI:10.1021/jm00105a066

Reference yield:

: 4263-93-8,111611-91-7
2-hydroxy-4-phenylbutanoic acid

: 109683-79-6
Utibaprilat

Guidance literature:: Multi-step reaction with 7 steps

1: 46 percent / triethylamine / ethyl acetate / 16 h / Heating

2: 1.) pyridine / 1.) dichloromethane, -22 deg C, 15 min, 2.) RT, 1 h

3: 23 percent / triethylamine / CH₂Cl₂ / 1.) RT, 16 h, 2.) reflux, 1 h

4: 87 percent / trifluoroacetic acid / 5 h / Ambient temperature

5: 1-hydroxybenzotriazole, dicyclohexylcarbodiimide / CH₂Cl₂ / 16 h / Ambient temperature

6: pyrrolidine, 3A molecular sieves / acetonitrile / 6 h / Ambient temperature

7: H₂ / 10percent Pd/C / ethanol / 16 h / Ambient temperature

With pyrrolidine; pyridine; 3 A molecular sieve; hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; palladium on activated charcoal; In ethanol; dichloromethane; ethyl acetate; acetonitrile;
DOI:10.1021/jm00105a066