3-Methylcrotonylglycine

Base Information

Chemical Name:3-Methylcrotonylglycine
CAS No.:33008-07-0
Molecular Formula:C7H11 N O3
Molecular Weight:157.169
Hs Code.:
UNII:LHG2SN5POH
DSSTox Substance ID:DTXSID50186641
Nikkaji Number:J682.207J
Wikidata:Q27136979
Metabolomics Workbench ID:37259
Mol file:33008-07-0.mol

Synonyms:3-methylcrotonylglycine;beta-methylcrotonylglycine

Suppliers and Price of 3-Methylcrotonylglycine

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

Usbiological
3-Methylcrotonyl glycine
25mg
$ 446.00

Usbiological
3-Methylcrotonyl Glycine
50mg
$ 446.00

TRC
3-MethylcrotonylGlycine
100mg
$ 350.00

Crysdot
2-(3-Methylbut-2-enamido)aceticacid 95%
1g
$ 614.00

ChemScene
3-Methylcrotonylglycine
1g
$ 255.00

Chemenu
2-(3-Methylbut-2-enamido)aceticacid 95%
1g
$ 580.00

Cayman Chemical
3-Methylcrotonyl Glycine ≥98%
50mg
$ 152.00

Cayman Chemical
3-Methylcrotonyl Glycine ≥98%
10mg
$ 39.00

Cayman Chemical
3-Methylcrotonyl Glycine ≥98%
250mg
$ 616.00

Cayman Chemical
3-Methylcrotonyl Glycine ≥98%
100mg
$ 285.00

Total 22 raw suppliers

Chemical Property of 3-Methylcrotonylglycine

Chemical Property:

Vapor Pressure:3.42E-14mmHg at 25°C
Melting Point:145-147?C
Boiling Point:394.9°Cat760mmHg
PKA:3.73±0.10(Predicted)
Flash Point:192.6°C
Density:1.138g/cm³
Storage Temp.:Refrigerator
Solubility.:DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
XLogP3:0.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:157.07389321
Heavy Atom Count:11
Complexity:192

Purity/Quality:

98% ^*data from raw suppliers

3-Methylcrotonyl glycine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=CC(=O)NCC(=O)O)C
Uses A metabolite found in 3-methylcrotonylglycinuria, a metabolic disorder A metabolite found in 3-methylcrotonylglycinuria, a metabolic disorder.

Technology Process of 3-Methylcrotonylglycine

There total 3 articles about 3-Methylcrotonylglycine 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:

: C₈H₁₂NO₃Pol

: 33008-07-0
N-3-methylbut-2-enoyl glycine

Guidance literature:: With water; trifluoroacetic acid; for 2h; solid phase reaction;
DOI:10.1016/j.bmcl.2009.09.118

Reference yield:

: 541-47-9
3-Methylbutenoic acid

: 56-40-6,18875-39-3,25718-94-9
glycine

: 33008-07-0
N-3-methylbut-2-enoyl glycine

Guidance literature:: Multistep reaction; (i) SOCl₂, dioxane, (ii) /BRN= 635782/, aq. NaOH;
DOI:10.1002/bms.1200061007

Reference yield:

: 56-40-6,18875-39-3,25718-94-9
glycine

: 6712-03-4
2-methyl-3-butenoyl-CoA

: 33008-07-0
N-3-methylbut-2-enoyl glycine

: 85-61-0
coenzyme A

Guidance literature:: With bovine liver glycine N-acyltransferase; at 30 ℃; pH=8; Reagent/catalyst; Kinetics; aq. buffer; Enzymatic reaction;
DOI:10.1124/dmd.111.041657