Benzoylpropylester ecgonine

Base Information

Chemical Name:Benzoylpropylester ecgonine
CAS No.:137819-55-7
Molecular Formula:C₁₉H₂₅NO₄
Molecular Weight:331.412
Hs Code.:
UNII:6VT73464P7
DSSTox Substance ID:DTXSID50568327
Nikkaji Number:J442.914A,J472.696K
Wikidata:Q82454550
Mol file:137819-55-7.mol

Synonyms:benzoylecgonine isopropyl ester

Suppliers and Price of Benzoylpropylester ecgonine

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

Biosynth Carbosynth
Benzoyl ecgonine isopropyl ester
25 mg
$ 751.00

Biosynth Carbosynth
Benzoyl ecgonine isopropyl ester
10 mg
$ 413.00

Biosynth Carbosynth
Benzoyl ecgonine isopropyl ester
5 mg
$ 227.20

Biosynth Carbosynth
Benzoyl ecgonine isopropyl ester
2 mg
$ 125.00

Biosynth Carbosynth
Benzoyl ecgonine isopropyl ester
50 mg
$ 1365.00

American Custom Chemicals Corporation
BENZOYL ECGONINE ISOPROPYL ESTER 95.00%
5MG
$ 756.25

Total 5 raw suppliers

Chemical Property of Benzoylpropylester ecgonine

Chemical Property:

PSA：55.84000
LogP:2.58420
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:331.17835828
Heavy Atom Count:24
Complexity:472

Purity/Quality:

99% ^*data from raw suppliers

Benzoyl ecgonine isopropyl ester ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)OC(=O)C1C2CCC(N2C)CC1OC(=O)C3=CC=CC=C3
Isomeric SMILES:CC(C)OC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3
Uses A 2β-substituted analog of cocaine as potential cocaine antagonist. Controlled substance.

Technology Process of Benzoylpropylester ecgonine

There total 2 articles about Benzoylpropylester ecgonine 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:

: 61194-36-3
benzoylecgonine acid chloride

: 67-63-0,8013-70-5
isopropyl alcohol

: 137819-55-7
RTI 14

Guidance literature:: With triethylamine; at 0 ℃; for 4h; Yield given;
DOI:10.1021/jm00079a017

Reference yield:

: 519-09-5
benzylecgonine

: 137819-55-7
RTI 14

Guidance literature:: Multi-step reaction with 2 steps

1: thionyl chloride / 4 h / 0 °C

2: Et₃N / 4 h / 0 °C

With thionyl chloride; triethylamine;
DOI:10.1021/jm00079a017