Salicylmethylecgonine

Base Information

Chemical Name:Salicylmethylecgonine
CAS No.:89339-17-3
Molecular Formula:C₁₇H₂₁NO₅
Molecular Weight:319.357
Hs Code.:
UNII:K8J4W658QK
Nikkaji Number:J506.575E
Wikipedia:Salicylmethylecgonine
Wikidata:Q7404462

Synonyms:Salicylmethylecgonine;2'-hydroxy Cocaine;89339-17-3;methyl (1R,2R,3S,5S)-3-(2-hydroxybenzoyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;(1R,2R,3S,5S)-3-[(2-hydroxybenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylicacid,methylester;(1R,2R,3S,5S)-3-((2-Hydroxybenzoyl)oxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylicacid,methylester;SCHEMBL20604700;PD043875;Q7404462;(1R,2R,3S,5S)-3-(2-Hydroxybenzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

Suppliers and Price of Salicylmethylecgonine

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

Sigma-Aldrich
o-Hydroxycocaine solution 1.0 mg/mL in acetonitrile, certified reference material, ampule of 1 mL
121-1ml
$ 170.00

Cayman Chemical
2’-hydroxy Cocaine ≥98%
1mg
$ 130.00

AK Scientific
Salicylmethylecgonine
1mg
$ 275.00

Total 22 raw suppliers

Chemical Property of Salicylmethylecgonine

Chemical Property:

Boiling Point:416.2±45.0 °C(Predicted)
Density:1.30±0.1 g/cm3(Predicted)
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:319.14197277
Heavy Atom Count:23
Complexity:468

Purity/Quality:

99% ^*data from raw suppliers

o-Hydroxycocaine solution 1.0 mg/mL in acetonitrile, certified reference material, ampule of 1 mL ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3O)C(=O)OC
Isomeric SMILES:CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)C3=CC=CC=C3O)C(=O)OC

Technology Process of Salicylmethylecgonine

There total 4 articles about Salicylmethylecgonine 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: 94.0%

: 192648-66-1
3-[(2'-acetoxybenzoyl)oxy]-[1R-(exo,exo)]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

: 89339-17-3
3β-[(2`-hydroxybenzoyl)oxy]-1R-(exo,exo)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

Guidance literature:: With hydrogenchloride; In methanol; for 48h; Heating;

Reference yield:

: 5796-31-6
ecgonine hydrochloride

: 89339-17-3
3β-[(2`-hydroxybenzoyl)oxy]-1R-(exo,exo)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: HCl gas

2: Et₃N / benzene / 40 °C

3: 94 percent / HCl gas / methanol / 48 h / Heating

With hydrogenchloride; triethylamine; In methanol; benzene;

Reference yield:

: 7143-09-1
methyl ecgonine

: 89339-17-3
3β-[(2`-hydroxybenzoyl)oxy]-1R-(exo,exo)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / benzene / 40 °C

2: 94 percent / HCl gas / methanol / 48 h / Heating

With hydrogenchloride; triethylamine; In methanol; benzene;