Clobenztropine

Base Information

• Chemical Name: Clobenztropine
• CAS No.: 5627-46-3
• Molecular Formula: C21H24 Cl N O
• Molecular Weight: 341.87
• UNII: M8CDT278F8
• DSSTox Substance ID: DTXSID5043897
• Nikkaji Number: J8.032B
• Wikipedia: Clobenztropine
• Wikidata: Q5134763
• NCI Thesaurus Code: C174698
• ChEMBL ID: CHEMBL310310
• Mol file: 5627-46-3.mol

Synonyms:Clobenztropine;5627-46-3;Clobenztropine [INN];Clobenztropina;Clobenztropinum;3-((4-Chlorophenyl)(phenyl)methoxy)-8-methyl-8-azabicyclo[3.2.1]octane;UNII-M8CDT278F8;CHEMBL310310;M8CDT278F8;3-(4-Chlorbenzhydryloxy)tropan;DTXSID5043897;3-[(4-chlorophenyl)-phenylmethoxy]-8-methyl-8-azabicyclo[3.2.1]octane;NCGC00015195-03;C21H24ClNO;SL 6057;3-[(4-chlorophenyl)(phenyl)methoxy]-8-methyl-8-azabicyclo[3.2.1]octane;4-ChloroBZT;3beta-4-ChloroBZT;Biomol-NT_000054;CLOBENZTROPINE [MI];Lopac0_000344;MLS002320768;BPBio1_001311;SCHEMBL1152321;C21-H24-Cl-N-O;DTXCID3023897;BDBM86702;CHEBI:103975;Tox21 110094;Tox21_110094;CCG-204439;NCGC00024871-02;SMR001338914;CAS-5627-46-3;3-((p-Chloro-alpha-phenylbenzyl)oxy)tropane;3-((p-Chloro-alpha-phenylbenzyl)oxy)tropane.;Q5134763;BRD-A51713165-003-01-8;3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-methyl-8-aza-bicyclo[3.2.1]octane;8-Azabicyclo[3.2.1]octane, 3-[(4-chlorophenyl)phenylmethoxy]-8-methyl-

Chemical Property of Clobenztropine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 437.198°C at 760 mmHg
• Flash Point: 218.209°C
• PSA: 12.47000
• Density: 1.196g/cm³
• LogP: 5.00910
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 341.1546421
• Heavy Atom Count: 24
• Complexity: 389

Purity/Quality:

CLOBENZTROPINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
• Therapeutic Function: Antihistaminic

Technology Process of Clobenztropine

There total 2 articles about Clobenztropine 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:

1-chloro-4-(chloro(phenyl)methyl)benzene (134-83-8,60035-71-4) + 3-tropanol (120-29-6) → 4'-chloro-3alpha-(diphenylmethoxy)tropane (5627-46-3)

Guidance literature:

at 160 ℃;

DOI:10.1021/jm00020a006

Reference yield:

1-chloro-4-(diazo(phenyl)methyl)benzene (1140-33-6) + 3-tropanol (120-29-6) → 4'-chloro-3alpha-(diphenylmethoxy)tropane (5627-46-3)

Guidance literature:

With benzene;

Reference yield: 54.0%

4'-chloro-3alpha-(diphenylmethoxy)tropane (5627-46-3) → (1R,3R,5S)-3-[(4-Chloro-phenyl)-phenyl-methoxy]-8-aza-bicyclo[3.2.1]octane; hydrochloride

Guidance literature:

With carbonochloridic acid 1-chloro-ethyl ester; sodium carbonate; In 1,2-dichloro-ethane; for 3h; Heating;

DOI:10.1021/jm000417f

upstream raw materials:

1-chloro-4-(chloro(phenyl)methyl)benzene

3-tropanol

1-chloro-4-(diazo(phenyl)methyl)benzene

Refernces