(R)-(+)-N-(1-Phenylethyl)succinamic acid

Base Information

• Chemical Name: (R)-(+)-N-(1-Phenylethyl)succinamic acid
• CAS No.: 21752-33-0
• Molecular Formula: C12H15 N O3
• Molecular Weight: 221.256
• Hs Code.: 2924299090
• European Community (EC) Number: 244-567-4
• DSSTox Substance ID: DTXSID10944360
• Nikkaji Number: J84.037H
• Wikidata: Q76006113
• Mol file: 21752-33-0.mol

Synonyms:21752-33-0;(R)-(+)-N-(1-Phenylethyl)succinamic acid;4-oxo-4-[[(1R)-1-phenylethyl]amino]butanoic acid;(R)-4-oxo-4-(1-phenylethylamino)butanoic acid;(R)-4-Oxo-4-((1-phenylethyl)amino)butanoic acid;(+)-N-(1-Phenylethyl)succinic acid monoamide;SCHEMBL3069332;DTXSID10944360;EINECS 244-567-4;MFCD00077432;AKOS010368216;CS-0336407;N-[(R)-alpha-Methylbenzyl]succinamidic acid;E84759;(R)-4-Oxo-4-((1-phenylethyl)amino)butyric acid;3-{[(1R)-1-phenylethyl]carbamoyl}propanoic acid;4-Hydroxy-4-[(1-phenylethyl)imino]butanoic acid;(R)-(+)-N-(1-Phenylethyl)succinamic acid, 98%;J-014272

Chemical Property of (R)-(+)-N-(1-Phenylethyl)succinamic acid

Chemical Property:

• Vapor Pressure: 1.23E-09mmHg at 25°C
• Melting Point: 98-101 °C
• Boiling Point: 470°Cat760mmHg
• PKA: 4.72±0.10(Predicted)
• Flash Point: 238°C
• PSA: 66.40000
• Density: 1.167g/cm³
• LogP: 2.11950
• Storage Temp.: Store below +30°C.
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

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

(R)-4-Oxo-4-(1-phenylethylamino)butanoicAcid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC=CC=C1)NC(=O)CCC(=O)O
• Isomeric SMILES: C[C@H](C1=CC=CC=C1)NC(=O)CCC(=O)O

Technology Process of (R)-(+)-N-(1-Phenylethyl)succinamic acid

There total 2 articles about (R)-(+)-N-(1-Phenylethyl)succinamic 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: 94.2%

→ 4-oxo-4-((1R)-phenylethylamino)butanoic acid (21752-33-0)

Guidance literature:

In ethyl acetate; at 75 - 80 ℃; for 0.166667h;

Reference yield: 88.0%

succinic acid anhydride (108-30-5) + (R)-1-phenyl-ethyl-amine (3886-69-9) → 4-oxo-4-((1R)-phenylethylamino)butanoic acid (21752-33-0)

Guidance literature:

With sulfuric acid; In N,N-dimethyl-formamide; Reflux;

DOI:10.2174/157017812803521072

Reference yield: 33.0%

4-oxo-4-((1R)-phenylethylamino)butanoic acid (21752-33-0) + phthalocyanine silicon(IV) dichloride (19333-10-9) → C44H30ClN9O3Si + C56H44N10O6Si

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In toluene; at 155 ℃; for 14h; Microwave irradiation; Sealed tube;

DOI:10.1021/acs.orglett.8b00851

upstream raw materials:

succinic acid anhydride

(R)-1-phenyl-ethyl-amine

Downstream raw materials:

C₉H₁₃N*C₁₂H₁₅NO₃

C₉H₁₃N*C₁₂H₁₅NO₃

Refernces

• 1、 -. "PROCESS FOR ENANTIOMERIC ENRICHMENT OF 2 ', 6 ' - PIPECOLOXYLIDIDE". Page/Page column 17-18. . Retrieved 2014/02/15.
• 2、 -. "PYRROLIDINE CARBOXAMIDE COMPOUNDS". Page/Page column 44-46. . Retrieved 2010/07/10.