(S)-methyl 4,5-diamino-5-oxopentanoate hydrochloride

Base Information

• Chemical Name: (S)-methyl 4,5-diamino-5-oxopentanoate hydrochloride
• CAS No.: 70830-50-1
• Molecular Formula: C₆H₁₂N₂O₃
• Molecular Weight: 160.173
• Hs Code.: 2924190090
• DSSTox Substance ID: DTXSID80704832
• Mol file: 70830-50-1.mol

Synonyms:70830-50-1;(S)-methyl 4,5-diamino-5-oxopentanoate hydrochloride;257288-44-1;H-GLU(OME)-NH2HCL;H-Glu(Ome)-Nh2 HCl;L-Glutamic acid g-methyl ester a-amide hydrochloride;methyl (4S)-4,5-diamino-5-oxopentanoate;hydrochloride;Methyl (S)-4,5-diamino-5-oxopentanoate hydrochloride;methyl (4S)-4-amino-4-carbamoylbutanoate hydrochloride;H-Glu(OMe)-NH HCl;H-Glu(OMe)-NH2.HCl;H-L-Glu(OMe)-NH2 HCl;H-Glu(OMe)-NH2 hydrochloride;SCHEMBL2255786;DTXSID80704832;MFCD02094379;AKOS006276872;FD21446;AS-49069;BP-12451;CS-0132203;L-Isoglutamine gamma-methyl ester hydrochloride;EN300-7361152;H-Isogln-OMe HCl;L-Isoglutamine-methyl ester HCl;L-Glutamic alpha-amide gamma-methy ester hydrochloride;Methyl L-alpha-glutaminate--hydrogen chloride (1/1)

Chemical Property of (S)-methyl 4,5-diamino-5-oxopentanoate hydrochloride

Chemical Property:

• Boiling Point: 341.3±37.0 °C(Predicted)
• PKA: 15.74±0.50(Predicted)
• PSA: 95.41000
• Density: 1.178±0.06 g/cm3(Predicted)
• LogP: 0.95480
• Storage Temp.: 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 196.0614700
• Heavy Atom Count: 12
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

L-Glutamic acid g-methyl ester a-amide hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)CCC(C(=O)N)N.Cl
• Isomeric SMILES: COC(=O)CC[C@@H](C(=O)N)N.Cl

Technology Process of (S)-methyl 4,5-diamino-5-oxopentanoate hydrochloride

There total 6 articles about (S)-methyl 4,5-diamino-5-oxopentanoate hydrochloride 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:

(S)-4-(2-Methoxycarbonylethyl)oxazolidine-2,5-dione (1663-47-4) → (S)-methyl 4,5-diamino-5-oxopentanoate (70830-50-1)

Guidance literature:

With ammonium hydroxide;

Reference yield:

(R)-2-amino-5-methoxy-5-oxopentanoic acid (6461-04-7) → D-isoglutamine methyl ester (73538-09-7,70830-50-1)

Guidance literature:

Multi-step reaction with 4 steps

1: 89.9 percent / Et₃N / H₂O; dimethylformamide

2: 72.7 percent / dicyclohexylcarbodiimide(DCC) / acetonitrile / 1.) 0 deg C, 3 h, 2.) RT, 12 h

3: 49.2 percent / 25percent aq. ammonia / tetrahydrofuran / 1.) 0 deg C, 30 min, 2.) RT, 30 min

4: trifluoroacetic acid / 0.25 h / Ambient temperature

With ammonium hydroxide; triethylamine; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; water; N,N-dimethyl-formamide; acetonitrile;

DOI:10.1246/bcsj.53.2570

Reference yield:

N-α-(tert-butoxycarbonyl)-D-glutamic acid γ-methyl ester (45214-91-3,76379-01-6,112159-16-7) → D-isoglutamine methyl ester (73538-09-7,70830-50-1)

Guidance literature:

Multi-step reaction with 3 steps

1: 72.7 percent / dicyclohexylcarbodiimide(DCC) / acetonitrile / 1.) 0 deg C, 3 h, 2.) RT, 12 h

2: 49.2 percent / 25percent aq. ammonia / tetrahydrofuran / 1.) 0 deg C, 30 min, 2.) RT, 30 min

3: trifluoroacetic acid / 0.25 h / Ambient temperature

With ammonium hydroxide; dicyclohexyl-carbodiimide; trifluoroacetic acid; In tetrahydrofuran; acetonitrile;

DOI:10.1246/bcsj.53.2570

upstream raw materials:

methyl (4R)-4-tert-butoxycarbonylamino-4-carbamoylbutyrate

(R)-2-amino-5-methoxy-5-oxopentanoic acid

N-α-(tert-butoxycarbonyl)-D-glutamic acid γ-methyl ester

t-butoxycarbonyl-D-glutamic acid α-N-succinimidyl γ-methyl diester