(3R)-3-(aminomethyl)-5-methylhexanoic acid

Base Information Edit

Chemical Name:(3R)-3-(aminomethyl)-5-methylhexanoic acid
CAS No.:148553-51-9
Molecular Formula:C₈H₁₇NO₂
Molecular Weight:159.228
Hs Code.:2922493800
European Community (EC) Number:811-425-3
NSC Number:759256
UNII:81R7ZI0HBG
DSSTox Substance ID:DTXSID90276292
Nikkaji Number:J866.310F
ChEMBL ID:CHEMBL167003
Mol file:148553-51-9.mol

Synonyms:(R)-Pregabalin;148553-51-9;(3R)-3-(aminomethyl)-5-methylhexanoic acid;(R)-3-(Aminomethyl)-5-methylhexanoic acid;Pregabalin, (R)-;Hexanoic acid, 3-(aminomethyl)-5-methyl-, (3R)-;81R7ZI0HBG;PD-144550;CHEMBL167003;Pregabalin CR;D00WUF;D0D1EU;UNII-81R7ZI0HBG;BSPBio_002316;SCHEMBL263450;SPECTRUM1505816;DTXSID90276292;HMS1922H16;HMS2093F10;Pharmakon1600-01505816;EX-A4191;CCG-40213;NSC759256;Pregabalin (controlled-release, oral);NCGC00178709-01;SBI-0206875.P001;Pregabalin (controlled-release, oral), Pfizer

Suppliers and Price of (3R)-3-(aminomethyl)-5-methylhexanoic acid

Supply Marketing:Edit

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

Crysdot
(R)-3-(Aminomethyl)-5-methylhexanoicacid 97%
1g
$ 297.00

Biosynth Carbosynth
(R)-Pregabalin
250 mg
$ 500.00

Biosynth Carbosynth
(R)-Pregabalin
100 mg
$ 400.00

Biosynth Carbosynth
(R)-Pregabalin
50 mg
$ 300.00

Biosynth Carbosynth
(R)-Pregabalin
25 mg
$ 200.00

Biosynth Carbosynth
(R)-Pregabalin
10 mg
$ 100.00

Total 30 raw suppliers

Chemical Property of (3R)-3-(aminomethyl)-5-methylhexanoic acid Edit

Chemical Property:

Boiling Point:274 °C at 760 mmHg
PKA:4.23±0.10(Predicted)
Flash Point:119.5 °C
PSA：63.32000
Density:0.997 g/cm³
LogP:1.78240
XLogP3:-1.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:159.125928785
Heavy Atom Count:11
Complexity:123

Purity/Quality:

99% ^*data from raw suppliers

(R)-3-(Aminomethyl)-5-methylhexanoicacid 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(CC(=O)O)CN
Isomeric SMILES:CC(C)C[C@H](CC(=O)O)CN
Uses (R)-Pregabalin is a GABA analogue used as an anticonvulsant, Anxiolytic analgesic used to treat peripheral neuropathic pain and fibromyalgia (less potent than the S-Enantiomer).

Technology Process of (3R)-3-(aminomethyl)-5-methylhexanoic acid

There total 84 articles about (3R)-3-(aminomethyl)-5-methylhexanoic acid 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: 97.0%

: 181289-21-4
5-methyl-3-(nitromethyl)hexanoic acid

: 128013-69-4,130912-52-6,148553-50-8,148553-51-9
(R,S)-3-iso-butyl-4-aminobutyric acid

Guidance literature:: With palladium 10% on activated carbon; hydrogen; In methanol; at 25 ℃; for 24h; under 760.051 Torr;
DOI:10.1039/d0nj02263b

Reference yield: 95.0%

: 1373869-02-3
t-butyl 4-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate

: 128013-69-4,130912-52-6,148553-50-8,148553-51-9
(R,S)-3-iso-butyl-4-aminobutyric acid

Guidance literature:: t-butyl 4-(2-methylpropyl)-2-oxopyrrolidine-1-carboxylate; With sodium hydroxide; In methanol; for 1h; Reflux; Large scale;

With hydrogenchloride; In dichloromethane; water; at 20 ℃; for 0.5h; Large scale;