(2Z)-2-aminobut-2-enoic acid

Base Information

• Chemical Name: (2Z)-2-aminobut-2-enoic acid
• CAS No.: 20748-08-7
• Molecular Formula: C4H7NO2
• Molecular Weight: 101.105
• UNII: 66QL1S96RM
• DSSTox Substance ID: DTXSID401309522
• Nikkaji Number: J1.018.629C,J19.823D
• Wikidata: Q27094626,Q27104608
• Metabolomics Workbench ID: 53654
• Mol file: 20748-08-7.mol

Synonyms:A,B-DHABA;alpha, beta-dehydroaminobutyric acid;alpha, beta-dehydroaminobutyric acid, (E)-isomer

Chemical Property of (2Z)-2-aminobut-2-enoic acid

Chemical Property:

• Vapor Pressure: 0.00396mmHg at 25°C
• Boiling Point: 259.2°Cat760mmHg
• Flash Point: 110.5°C
• PSA: 63.32000
• Density: 1.171g/cm³
• LogP: 0.63380
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 101.047678466
• Heavy Atom Count: 7
• Complexity: 106

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C(=O)O)N
• Isomeric SMILES: C/C=C(/C(=O)O)\N

Technology Process of (2Z)-2-aminobut-2-enoic acid

There total 3 articles about (2Z)-2-aminobut-2-enoic 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:

jagaricin (1422729-34-7) → D-allo-threonine (24830-94-2,134357-96-3,7013-32-3,82822-12-6) + (2S,3S)-2-amino-3-hydroxybutanoic acid (28954-12-3,134357-96-3,7013-32-3,82822-12-6) + L-threonine (72-19-5,134357-96-3,7013-32-3,82822-12-6) + D-Glutamin (5959-95-5,26700-71-0) + (R)-3-hydroxytetradecanoic acid (28715-21-1,3422-31-9) + dehydrobutyrine (20748-08-7) + tyrosine (556-02-5,18875-48-4,25619-78-7,30704-25-7) + glycine (56-40-6,18875-39-3,25718-94-9) + L-histidine (71-00-1)

Guidance literature:

With hydrogenchloride; phenol; In water; at 105 ℃; Reagent/catalyst;

DOI:10.1002/anie.201206658

Reference yield:

tert-butyl 3-aminocrotonate + (2S)-6-tert-butyl 1-methyl 2-(tert-butoxycarbonylamino)-4-oxohexanedioate (955375-96-9) + (2,3,4,6-tetra-O-benzyl-β-D-galactopyranosyl)methanal (140397-46-2) → C59H74N2O13 + dehydrobutyrine (20748-08-7)

Guidance literature:

With 4 A molecular sieve; In tert-butyl alcohol; at 70 ℃; for 24h; Title compound not separated from byproducts.;

DOI:10.1021/jo071221r

Reference yield:

→ dehydrobutyrine (20748-08-7)

Guidance literature:

Acetessigsaeureaethylester, NH3-Gas bei bis zu 80grad unter Abtrennung d. w.;

upstream raw materials:

(2S)-6-tert-butyl 1-methyl 2-(tert-butoxycarbonylamino)-4-oxohexanedioate

(2,3,4,6-tetra-O-benzyl-β-D-galactopyranosyl)methanal

jagaricin

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