Asparaginol

Base Information

• Chemical Name: Asparaginol
• CAS No.: 36983-58-1
• Molecular Formula: C4H10N2O2
• Molecular Weight: 118.1344
• DSSTox Substance ID: DTXSID80190473
• Nikkaji Number: J2.006.293B
• Wikidata: Q72437726
• Mol file: 36983-58-1.mol

Synonyms:asparaginol

Chemical Property of Asparaginol

Chemical Property:

• Vapor Pressure: 2.57E-09mmHg at 25°C
• Boiling Point: 433°C at 760 mmHg
• Flash Point: 215.7°C
• PSA: 90.33000
• Density: 1.218g/cm³
• LogP: 0.03140
• XLogP3: -2.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 118.074227566
• Heavy Atom Count: 8
• Complexity: 84.1

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(CO)N)C(=O)N
• Isomeric SMILES: C([C@@H](CO)N)C(=O)N

Technology Process of Asparaginol

There total 5 articles about Asparaginol 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: 88.3%

L-asparagine (70-47-3,28088-48-4,7006-34-0) → L-Aspol (36983-58-1)

Guidance literature:

With hydrogenchloride; ruthenium-carbon composite; hydrogen; at -5 - 30 ℃; for 14h;

Reference yield:

3-Carbobenzoxyamino-4-hydroxy-L-butyramid (35264-98-3) → L-Aspol (36983-58-1)

Guidance literature:

With hydrogen; palladium; In methanol;

DOI:10.1021/jm00293a043

Reference yield:

(S)-(+)-(N,N-dibenzoylamino)-4-hydroxy-butanecarboxamide (137428-35-4) → L-Aspol (36983-58-1)

Guidance literature:

With hydrogen; palladium dihydroxide; at 20 ℃; for 12h;

DOI:10.1016/S0960-894X(03)00004-0

upstream raw materials:

3-Carbobenzoxyamino-4-hydroxy-L-butyramid

L-t-Boc-Asnol

trifluoroacetic acid

(S)-(+)-(N,N-dibenzoylamino)-4-hydroxy-butanecarboxamide