(S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)acetic acid

Base Information

• Chemical Name: (S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)acetic acid
• CAS No.: 30735-20-7
• Molecular Formula: C13H16 N2 O6
• Molecular Weight: 296.28
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID40427075
• Nikkaji Number: J307.827B
• Wikidata: Q72442129
• Mol file: 30735-20-7.mol

Synonyms:30735-20-7;(S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)acetic acid;Z-SER-GLY-OH;2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid;N-benzyloxycarbonylserylglycine;SCHEMBL7540842;DTXSID40427075;N-(Benzyloxycarbonyl)-L-serylglycine;AKOS015893095;N-[(Benzyloxy)carbonyl]-L-serylglycine;N-[N-(Benzyloxycarbonyl)-L-seryl]glycine;(S)-2-(2-(benzyloxycarbonylamino)-3-hydroxypropanamido)acetic acid;(S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)aceticacid;2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-hydroxypropanamido]acetic acid

Chemical Property of (S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)acetic acid

Chemical Property:

• Melting Point: 131 °C
• Boiling Point: 651.2±55.0 °C(Predicted)
• PKA: 3.31±0.10(Predicted)
• PSA: 124.96000
• Density: 1.374
• LogP: 0.25630
• Storage Temp.: -15°C
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 296.10083623
• Heavy Atom Count: 21
• Complexity: 368

Purity/Quality:

99%+, ^*data from raw suppliers

(S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)acetic acid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)acetic acid

There total 4 articles about (S)-2-(2-(((Benzyloxy)carbonyl)amino)-3-hydroxypropanamido)acetic 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:

N-(N-benzyloxycarbonyl-L-seryl)-glycine ethyl ester (4526-93-6) → N-benzyloxycarbonylserylglycine (30735-20-7)

Guidance literature:

With sodium hydroxide;

Reference yield:

N-benzyloxycarbonyl-L-serine methyl ester (1676-81-9) → N-benzyloxycarbonylserylglycine (30735-20-7)

Guidance literature:

Multi-step reaction with 3 steps

1: ethanol; hydrazine hydrate

2: acetic acid; aqueous HCl; NaNO₂ / unter Kuehlung und Behandeln des gebildeten Azids mit Glycin-aethylester in Aethylacetat und Aether

3: aqueous methanol. NaOH

With hydrogenchloride; sodium hydroxide; ethanol; hydrazine hydrate; acetic acid; sodium nitrite;

Reference yield:

benzyl (1S)-2-hydrazino-1-(hydroxymethyl)-2-oxoethylcarbamate (26582-86-5) → N-benzyloxycarbonylserylglycine (30735-20-7)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; aqueous HCl; NaNO₂ / unter Kuehlung und Behandeln des gebildeten Azids mit Glycin-aethylester in Aethylacetat und Aether

2: aqueous methanol. NaOH

With hydrogenchloride; sodium hydroxide; acetic acid; sodium nitrite;

upstream raw materials:

N-(N-benzyloxycarbonyl-L-seryl)-glycine ethyl ester

N-benzyloxycarbonyl-L-serine methyl ester

benzyl (1S)-2-hydrazino-1-(hydroxymethyl)-2-oxoethylcarbamate

benzyl chloroformate

Downstream raw materials:

carbobenzoxy-L-serylglycine β-tosylate

serylglycylglycylglycine

L-Ser-Gly