Deptropine

Base Information

• Chemical Name: Deptropine
• CAS No.: 604-51-3
• Molecular Formula: C₂₃H₂₇NO
• Molecular Weight: 333.473
• DSSTox Substance ID: DTXSID70859507
• ChEMBL ID: CHEMBL503237
• Mol file: 604-51-3.mol

Synonyms:CHEMBL503237;Deptropine (INN);Prestwick0_001013;Prestwick1_001013;Prestwick2_001013;SPBio_003036;DTXSID70859507;ZWPODSUQWXAZNC-UHFFFAOYSA-N;BDBM50413520;FT-0665870;D07404;3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane #;3-(6,11-dihydro-5H-dibenzo[[?],[?]][7]annulen-11-yloxy)-8-methyl-8-azabicyclo[3.2.1]octane;3-[(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-yl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane

Chemical Property of Deptropine

Chemical Property:

• Boiling Point: 446.3±45.0 °C(Predicted)
• PKA: 10.51±0.40(Predicted)
• PSA: 12.47000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 4.45430
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 333.209264485
• Heavy Atom Count: 25
• Complexity: 427

Purity/Quality:

98%min ^*data from raw suppliers

Deptropine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35
• Uses: Antihistaminic.

Technology Process of Deptropine

There total 2 articles about Deptropine 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:

5-chlorodibenzosuberane (1210-33-9) + 3-tropanol (120-29-6) → 3α-((10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-yl)oxy)-8-methyl-8-azabicyclo[3.2.1]octane (604-51-3)

Guidance literature:

In toluene; at 20 ℃;

DOI:10.1016/j.bmcl.2011.12.008

Reference yield:

→ 5-Pseudotropyloxy-dibenzo-1.4-cycloheptadien (10040-35-4,888715-93-3,604-51-3)

Guidance literature:

Aus 5-Chlor-dibenzo-1.4-cycloheptadien u. Pseudotropin ;

DOI:10.1021/jm50018a008

upstream raw materials:

5-chlorodibenzosuberane

3-tropanol

Refernces

• 1、 van der STELT,HARMS,NAUTA. "The effect of alkylsubstitution in drugs. V. Synthesis and chemical properties of some dibenzo [a,d]1,4-cycloheptadienyl ethers.". . p. 335 - 349. Retrieved 2007/10/05.