Structure of (R)-(-)-3-Carbamoymethyl-5-methylhexanoicacid CAS 181289-33-8

Iden­ti­fi­ca­tion

CAS Number

181289-33-8

Name

(R)-(-)-3-Carbamoymethyl-5-methylhexanoicacid CAS 181289-33-8

Syn­onyms

(3R)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
[IUPAC name – gen­er­at­ed by ACD/​Name]
(3R)-3-(2-Amino-2-oxoethyl)-5-methylhexansäure
[Ger­man]
[IUPAC name – gen­er­at­ed by ACD/​Name]
(R)-(−)-3-(Carbamoylmethyl)-5-methylhexanoic acid
(R)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid
11747721
[Beil­stein]
181289-33-8
[RN]
185815-61-6
[RN]
Acide (3R)-3-(2-amino-2-oxoéthyl)-5-méthylhexanoïque
[French]
[IUPAC name – gen­er­at­ed by ACD/​Name]
Hexa­noic acid, 3-(2-amino-2-oxoethyl)-5-methyl-, (3R)-
[Index name – gen­er­at­ed by ACD/​Name]
ZV1Y1VQ1Y1&1 &&R For
[WLN]

SMILES

CC(C)CC@HCC(=O)O

Std­InChI

InChI=1S/C9H17NO3/c1-6(2)3-7(4-8(10)11)5-9(12)13/h6-7H,3-5H2,1-2H3,(H2,10,11)(H,12,13)/t7-/m1/s1

Std­InChIKey

NPD­K­T­S­LVWGF­PQG-SSDOTTSWSA-N

Mol­e­c­u­lar Formula

C9H17NO3

Mol­e­c­u­lar Weight

187.239

Beil­stein Reg­istry Number

11747721

MDL Number

MFCD09028111

Prop­er­ties

Appear­ance

White pow­der

Safe­ty Data

Sym­bol

exclamation-mark-jpgGHS07

Sig­nal Word

Warn­ing

Haz­ard statements

H315

Pre­cau­tion­ary Statements

P264P280P302 + P352P332 + P313P362P364

RIDADR 

NONH for all modes of transport

WGK Germany

3

Spec­i­fi­ca­tions and Oth­er Infor­ma­tion of Our (R)-(-)-3-Carbamoymethyl-5-methylhexanoicacid CAS 181289-33-8

Iden­ti­fi­ca­tion Methods

HNMR, IRHPLC

Chi­ral Puri­ty RIsomer

99% min

Any indi­vid­ual impurity

99% min

Chro­mato­graph­ic Purity

≤0.5%

Total Impu­ri­ties

≤1.0%

Assay (By titrimetric)

98.5% ~102.0%

Water Con­tent by KFR

≤1.0%

Shelf Life

1 year

Stor­age

Store in a cool place and pro­tect from light

Known Appli­ca­tion

(R)-(-)-3-(Carbamoylmethyl)-5-methylhexanoic acid is an inter­me­di­ate in chi­ral organ­ic syn­the­sis ; its pri­ma­ry appli­ca­tion is to serve as a mol­e­c­u­lar scaf­fold in the syn­the­sis of chi­ral phar­ma­ceu­ti­cal mol­e­cules and bio­log­i­cal­ly active com­pounds. Under appro­pri­ate con­di­tions, (R)-(-)-3-(carbamoylmethyl)-5-methylhexanoic acid can under­go an intramol­e­c­u­lar cycliza­tion reac­tion (lac­tamiza­tion) to yield chi­ral (R)-3-isobutylglutarimide.

This prod­uct is devel­oped by our R&D com­pa­ny Cam­ing Phar­ma­ceu­ti­cal Ltd (https://​www​.cam​ing​.com/).

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