Chlophedianol

Base Information

• Chemical Name: Chlophedianol
• CAS No.: 791-35-5
• Molecular Formula: C17H20ClNO
• Molecular Weight: 289.805
• European Community (EC) Number: 212-340-9
• NSC Number: 113595
• UNII: 42C50P12AP
• DSSTox Substance ID: DTXSID4022789
• Nikkaji Number: J7.095E
• Wikipedia: Clofedanol
• Wikidata: Q2964078
• NCI Thesaurus Code: C73183
• RXCUI: 21254
• Metabolomics Workbench ID: 43626
• ChEMBL ID: CHEMBL1201313
• Mol file: 791-35-5.mol

Synonyms:2-chloro-alpha-(2-dimethylaminoethyl)benzhydrol;Baltix;chlophedianol;chlophendianol hydrochloride;clofedanol;clofedanol hydrochloride

Chemical Property of Chlophedianol

Chemical Property:

• Melting Point: 120°
• PSA: 23.47000
• LogP: 3.52760
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 289.1233420
• Heavy Atom Count: 20
• Complexity: 291

Purity/Quality:

99.9% ^*data from raw suppliers

Chlophedianol-[13C6] ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC(C1=CC=CC=C1)(C2=CC=CC=C2Cl)O
• Uses: (±)-Chlophedianol is an inhalation eutectic compound, used for treatment of respiratory diseases.Also, used in preparation of Deuterated morphine derivatives useful in treatment of pain or as as antitussive agents with reduced risk of possibility of drug abuse.

Technology Process of Chlophedianol

There total 2 articles about Chlophedianol 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:

→ chlophedianol (791-35-5,179764-48-8,179764-49-9)

Guidance literature:

Keton I, PhMgBr;

Reference yield:

→ 3-Dimethylamino-1-phenyl-1-<2-chlor-phenyl>-propanol-(1) (791-35-5,179764-48-8,179764-49-9)

Guidance literature:

2-Chlor-phenylmagnesiumbromid, 1.) β-Chlor-propiophenon, Ae., 2.) K-Acetat,, Me., Siedetemp.+ Dimethylamin (oder + Dimethylamin in Bzl., Siedetemp.);