3-[(Aminoiminomethyl)amino]-N-[(phenylmethoxy)carbonyl]-L-alanine

Base Information

Chemical Name:3-[(Aminoiminomethyl)amino]-N-[(phenylmethoxy)carbonyl]-L-alanine
CAS No.:281666-49-7
Molecular Formula:C₁₂H₁₆N₄O₄
Molecular Weight:280.283
Hs Code.:
DSSTox Substance ID:DTXSID801168205

Synonyms:DTXSID801168205;3-[(Aminoiminomethyl)amino]-N-[(phenylmethoxy)carbonyl]-L-alanine;281666-49-7

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Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 3-[(Aminoiminomethyl)amino]-N-[(phenylmethoxy)carbonyl]-L-alanine

Chemical Property:

XLogP3:-0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:280.11715500
Heavy Atom Count:20
Complexity:363

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC(=O)NC(CN=C(N)N)C(=O)O
Isomeric SMILES:C1=CC=C(C=C1)COC(=O)N[C@@H](CN=C(N)N)C(=O)O

Technology Process of 3-[(Aminoiminomethyl)amino]-N-[(phenylmethoxy)carbonyl]-L-alanine

There total 4 articles about 3-[(Aminoiminomethyl)amino]-N-[(phenylmethoxy)carbonyl]-L-alanine 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: 71.3%

: 13139-17-8
N-(Benzyloxycarbonyloxy)succinimide

: 14191-91-4
L-α-Amino-β-guanidinopropionic acid

: 281666-49-7
N^α-benzyloxycarbonyl-β-guanidino-L-α-alanine

Guidance literature:: L-α-Amino-β-guanidinopropionic acid; With sodium hydroxide; In water;

N-(Benzyloxycarbonyloxy)succinimide; In tetrahydrofuran; water; at 0 - 20 ℃;

Reference yield: 40.0%

: 35761-26-3
(S)-3-amino-2-(((benzyloxy)carbonyl)amino)propanoic acid

: 4023-02-3
1H-pyrazole-1-carboximidamide hydrochloride

: 281666-49-7
N^α-benzyloxycarbonyl-β-guanidino-L-α-alanine

Guidance literature:: With sodium carbonate; In water; at 20 ℃;
DOI:10.1016/S0040-4020(00)00123-X

Reference yield:

: 2304-96-3
N-benzyloxycarbonyl-L-asparagine

: 281666-49-7
N^α-benzyloxycarbonyl-β-guanidino-L-α-alanine

Guidance literature:: Multi-step reaction with 2 steps

1: 47 percent / [bis(trifluoroacetoxy)iodo]-benzene; pyridine / dimethylformamide; H₂O / 4.5 h / 20 °C

2: 40 percent / Na₂CO₃ / H₂O / 20 °C

With pyridine; sodium carbonate; bis-[(trifluoroacetoxy)iodo]benzene; In water; N,N-dimethyl-formamide; 1: Decarbonylation / 2: Substitution;
DOI:10.1016/S0040-4020(00)00123-X