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Spiraprilat

Base Information
  • Chemical Name:Spiraprilat
  • CAS No.:83602-05-5
  • Molecular Formula:C20H26 N2 O5 S2
  • Molecular Weight:438.569
  • Hs Code.:
  • UNII:QS56V5Y7EC
  • DSSTox Substance ID:DTXSID30232453
  • Nikkaji Number:J258.533B
  • Wikipedia:Spiraprilat
  • Wikidata:Q7577792
  • NCI Thesaurus Code:C152419
  • Pharos Ligand ID:17RJHFQVWWQY
  • ChEMBL ID:CHEMBL579
  • Mol file:83602-05-5.mol
Spiraprilat

Synonyms:spiraprilat;spiraprilate

Suppliers and Price of Spiraprilat
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
  • SPIRAPRILAT 95.00%
  • 5MG
  • $ 496.17
Total 6 raw suppliers
Chemical Property of Spiraprilat
Chemical Property:
  • Vapor Pressure:3.36E-21mmHg at 25°C 
  • Melting Point:163-165° 
  • Boiling Point:710.7°C at 760 mmHg 
  • Flash Point:383.6°C 
  • PSA:157.54000 
  • Density:1.41g/cm3 
  • LogP:2.24110 
  • XLogP3:0.3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:8
  • Rotatable Bond Count:8
  • Exact Mass:438.12831428
  • Heavy Atom Count:29
  • Complexity:620
Purity/Quality:

99% *data from raw suppliers

SPIRAPRILAT 95.00% *data from reagent suppliers

Safty Information:
  • Pictogram(s):  
  • Hazard Codes: 
MSDS Files:

SDS file from LookChem

Useful:
  • Canonical SMILES:CC(C(=O)N1CC2(CC1C(=O)O)SCCS2)NC(CCC3=CC=CC=C3)C(=O)O
  • Isomeric SMILES:C[C@@H](C(=O)N1CC2(C[C@H]1C(=O)O)SCCS2)N[C@@H](CCC3=CC=CC=C3)C(=O)O
Technology Process of Spiraprilat

There total 13 articles about Spiraprilat 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:
Guidance literature:
Multi-step reaction with 6 steps
1: 6.8 g / SOCl2 / 20 h / Heating
2: 3.86 g / p-toluenesulfonic acid / acetic acid / 44 h / Heating
3: 6.3 g / 20percent HBr/glacial acetic acid / 2 h / Ambient temperature
4: 3.64 g / 2.5 N aq. NaOH / methanol / 18 h / Ambient temperature
5: 1.) N,N-disuccinimidyl carbonate, pyridine, 2.) NEt3 / 1.) CH3CN, RT, 44 h, 2.) CH3CN, H2O, RT
6: 6.22 g / 2.5 N aq. NaOH / methanol / 20 h / Ambient temperature
With pyridine; sodium hydroxide; thionyl chloride; di(succinimido) carbonate; hydrogen bromide; toluene-4-sulfonic acid; acetic acid; triethylamine; In methanol; acetic acid;
DOI:10.1021/jm00127a033
Guidance literature:
Multi-step reaction with 3 steps
1: 1->3-(dimethylamino)propyl>-3-ethylcarbodiimide hydrochloride / dimethylformamide / 18 h / Ambient temperature
2: 4.6 g / NEt3 / dimethylformamide / Ambient temperature
3: 6.22 g / 2.5 N aq. NaOH / methanol / 20 h / Ambient temperature
With sodium hydroxide; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In methanol; N,N-dimethyl-formamide;
DOI:10.1021/jm00127a033
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