3-Tropanyl 4'-bromotropate

Base Information

Chemical Name:3-Tropanyl 4'-bromotropate
CAS No.:63978-22-3
Molecular Formula:C₁₇H₂₂BrNO₃
Molecular Weight:368.271
Hs Code.:2933990090
DSSTox Substance ID:DTXSID60981467
Nikkaji Number:J96.555C
Mol file:63978-22-3.mol

Synonyms:3-Tropanyl 4'-bromotropate;4'-Bromotropic acid 3-tropanyl ester;BRN 1548279;p-Bromoatropine;Tropic acid, 4'-bromo-, 3-tropanyl ester;DTXSID60981467;HMXQSWAWRXDIOX-UHFFFAOYSA-N;8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 2-(4-bromophenyl)-3-hydroxypropanoate #;8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL 2-(4-BROMOPHENYL)-3-HYDROXYPROPANOATE

Suppliers and Price of 3-Tropanyl 4'-bromotropate

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
3-TROPANYL 4'-BROMOTROPATE 95.00%
5MG
$ 503.48

Total 0 raw suppliers

Chemical Property of 3-Tropanyl 4'-bromotropate

Chemical Property:

Vapor Pressure:9.96E-10mmHg at 25°C
Boiling Point:472.4°Cat760mmHg
Flash Point:239.5°C
PSA：49.77000
Density:1.44g/cm³
LogP:2.63130
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:367.07831
Heavy Atom Count:22
Complexity:383

Purity/Quality:: 3-TROPANYL 4'-BROMOTROPATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=C(C=C3)Br

Technology Process of 3-Tropanyl 4'-bromotropate

There total 3 articles about 3-Tropanyl 4'-bromotropate 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:

: 23007-97-8
2-(4-bromophenyl)-3-hydroxypropanoic acid

: 63978-22-3
2-(4-bromo-phenyl)-3-hydroxy-propionic acid tropan-3-yl ester

Guidance literature:: Multi-step reaction with 2 steps

1: 2 h / Heating

2: 1.) SOCl₂, 3.) conc. HCl / 1.) 60 deg C, 2.5 h, 2.) 80 deg C, 2 h, 3.) H₂O, room temperature, 24 h

With hydrogenchloride; thionyl chloride;
DOI:10.1016/S0223-5234(97)83285-0

Reference yield:

: tropine-HCl

: 3-Acetoxy-2-(4-bromo-phenyl)-propionic acid

: 63978-22-3
2-(4-bromo-phenyl)-3-hydroxy-propionic acid tropan-3-yl ester

Guidance literature:: With hydrogenchloride; thionyl chloride; Yield given. Multistep reaction; 1.) 60 deg C, 2.5 h, 2.) 80 deg C, 2 h, 3.) H₂O, room temperature, 24 h;
DOI:10.1016/S0223-5234(97)83285-0