N-(Carboxymethyl)aspartic acid

Base Information

• Chemical Name: N-(Carboxymethyl)aspartic acid
• CAS No.: 41035-84-1
• Molecular Formula: C₆H₉NO₆
• Molecular Weight: 191.141
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00438001
• Nikkaji Number: J2.877.382J
• Mol file: 41035-84-1.mol

Synonyms:N-(Carboxymethyl)aspartic acid;41035-84-1;2-(carboxymethylamino)butanedioic Acid;N-CARBOXYMETHYLASPARTIC ACID;N-(Carboxymethyl)aminosuccinic acid;SCHEMBL472192;DTXSID00438001;2-Carboxymethyl(iminobisacetic acid)

Chemical Property of N-(Carboxymethyl)aspartic acid

Chemical Property:

• PSA: 123.93000
• LogP: -1.02060
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 191.04298701
• Heavy Atom Count: 13
• Complexity: 225

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C(=O)O)NCC(=O)O)C(=O)O

Technology Process of N-(Carboxymethyl)aspartic acid

There total 3 articles about N-(Carboxymethyl)aspartic 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: 91.6%

→ L-(N-carboxymethyl)aspartic acid (41035-84-1)

Guidance literature:

Reference yield: 66.0%

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + bromoacetic acid (79-08-3) → L-(N-carboxymethyl)aspartic acid (41035-84-1)

Guidance literature:

With sodium hydroxide; In water; at 70 ℃; for 3h; pH=11;

DOI:10.1002/ejic.201200599

Reference yield: 58.0%

L-Aspartic acid (56-84-8,25608-40-6,27881-03-4,32505-46-7,52526-39-3) + chloroacetic acid (79-11-8) → L-(N-carboxymethyl)aspartic acid (41035-84-1)

Guidance literature:

L-Aspartic acid; chloroacetic acid; With sodium hydroxide; In water; for 10h; pH=Ca.10; Heating;

With hydrogenchloride; at 4 - 6 ℃; pH=2-2.5;

DOI:10.1007/s11172-020-2978-1

upstream raw materials:

L-Aspartic acid

bromoacetic acid

chloroacetic acid

Refernces

• 1、 Klenc, Jeffrey,Lipowska, Malgorzata,Taylor, Andrew T.,Marzilli, Luigi G.. "Synthesis and characterization of fac-Re(CO)3-aspartic-N- monoacetic acid: Structural analogue of a potential renal tracer, fac- 99mTc(CO)3(ASMA)". . p. 4334 - 4341. Retrieved 2012.
• 2、 -. "Lightening Agents and/or Dyes that Contain Aldehyde(s)". . . Retrieved 2010/12/29.