L-Aspartic acid, 2-(hydroxymethyl)-(9CI)

Base Information

• Chemical Name: L-Aspartic acid, 2-(hydroxymethyl)-(9CI)
• CAS No.: 134234-61-0
• Molecular Formula: C₅H₉NO₅
• Molecular Weight: 163.13
• DSSTox Substance ID: DTXSID601300857
• Nikkaji Number: J839.037A
• Mol file: 134234-61-0.mol

Synonyms:134234-61-0;L-Aspartic acid, 2-(hydroxymethyl)- (9CI);(2R)-2-amino-2-(hydroxymethyl)butanedioic Acid;2-(hydroxymethyl)aspartic acid;SCHEMBL3146213;Aspartic acid,2-(hydroxymethyl)-;DTXSID601300857;2-(Hydroxymethyl)-L-aspartic acid;75659-22-2

Chemical Property of L-Aspartic acid, 2-(hydroxymethyl)-(9CI)

Chemical Property:

• PSA: 120.85000
• LogP: -1.06420
• XLogP3: -4.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 163.04807239
• Heavy Atom Count: 11
• Complexity: 180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of L-Aspartic acid, 2-(hydroxymethyl)-(9CI)

There total 5 articles about L-Aspartic acid, 2-(hydroxymethyl)-(9CI) 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:

5-benzoylamino-5-methoxycarbonylmethylene-4-oxo-1,3-dioxane (97640-30-7) → (+)-α-hydroxymethylaspartic acid (134234-61-0)

Guidance literature:

Multi-step reaction with 4 steps

1: 88 percent / aq. HCl / methanol / 0.17 h / Heating

4: 5N HCl / 5 h / Heating

With hydrogenchloride; In methanol;

DOI:10.1007/BF01161050

Reference yield:

(R)-2-tert-Butoxycarbonylamino-2-hydroxymethyl-3-phenyl-propionic acid (188569-21-3) → (+)-α-hydroxymethylaspartic acid (134234-61-0)

Guidance literature:

With hydrogenchloride; sodium hydroxide; ozone; Yield given. Multistep reaction; 1.) H₂O/AcOH, RT, 2.) 100 deg C, 2.) 50 deg C;

DOI:10.1055/s-1997-786

Reference yield:

4-benzoylamino-4-carboxy-γ-butyrolactone (97640-33-0) → (+)-α-hydroxymethylaspartic acid (134234-61-0)

Guidance literature:

With hydrogenchloride; for 5h; Yield given; Heating;

DOI:10.1007/BF01161050

upstream raw materials:

4-benzoylamino-4-carboxy-γ-butyrolactone

(R)-2-tert-Butoxycarbonylamino-2-hydroxymethyl-3-phenyl-propionic acid

N-benzoyl-α-hydroxymethylaspartic acid β-methyl ester

5-benzoylamino-5-methoxycarbonylmethylene-4-oxo-1,3-dioxane

Refernces

• 1、 Wieczorek, Wanda,Bukowska-Strzyzewska, Maria,Olma, Aleksandra,Kaminski, Zbigniew J.,Leplawy, Miroslaw T.. "α-Hydroxymethylaspartic acid: Synthesis and absolute configuration by X-ray analysis of its derivative (+)-4-benzoylamino-4-carboxy-γ-butyrolactone". . p. 107 - 112. Retrieved 2007/10/02.