2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid

Base Information

• Chemical Name: 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid
• CAS No.: 19506-89-9
• Molecular Formula: C14H15NO4
• Molecular Weight: 261.277
• European Community (EC) Number: 219-337-1
• NSC Number: 126816,56825
• DSSTox Substance ID: DTXSID40947006
• Nikkaji Number: J2.300.088A
• Mol file: 19506-89-9.mol

Synonyms:19506-89-9;2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid;Pht-Dl-Leu-Oh;2-(1,3-dioxoisoindolin-2-yl)-4-methylpentanoic acid;Phthaloyl-Leu-OH;2419-38-7;2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid;2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-4-methyl-pentanoic acid;MFCD00023057;5115-57-1;2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoic acid;PHTHALYL-DL-LEUCINE;(2S)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid;N-phthaloyl leucine;NSC56825;ChemDiv3_013266;Cambridge id 7130326;NCIOpen2_002363;Oprea1_508444;(2S)-2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoic acid;SCHEMBL478909;DTXSID40947006;RMOSZIHTPMEZAP-UHFFFAOYSA-N;HMS1510K22;EINECS 219-337-1;2-phthalimido-4-methylpentanoic acid;NSC-56825;NSC126816;STK252437;AKOS000114584;AKOS016040432;NSC-126816;PB42354;SB64118;LS-03584;FT-0634258;FT-0684354;EN300-00164;AF-960/00453020;SR-01000582005;SR-01000582005-1;BRD-A83181676-001-01-6;Z56839685;2-(1,3-dioxo-2-azaindan-2-yl)-4-methylpentanoic acid;2-(1,3-dioxo-2-azaindane-2-yl)-4-methylpentanoic acid;F0827-0160;2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoato;(S)-1,3-Dihydro-alpha-(2-methylpropyl)-1,3-dioxo-2H-isoindole-2-acetic acid;2H-Isoindole-2-acetic acid, 1,3-dihydro-alpha-(2-methylpropyl)-1,3-dioxo-, (S)-

Chemical Property of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid

Chemical Property:

• Vapor Pressure: 4.95E-08mmHg at 25°C
• Melting Point: 140 °C
• Boiling Point: 426.4°Cat760mmHg
• PKA: 3.65±0.21(Predicted)
• Flash Point: 211.7°C
• Density: 1.311g/cm³
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 261.10010796
• Heavy Atom Count: 19
• Complexity: 380

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

Technology Process of 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid

There total 8 articles about 2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic 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: 90.0%

phthalic anhydride (85-44-9) + LEUCINE (328-39-2,21675-61-6,25248-98-0,70-45-1) → N-phthaloyl-DL-leucine (19506-89-9)

Guidance literature:

at 170 ℃; for 2.5h;

DOI:10.3762/bjoc.13.142

Reference yield:

phthalic anhydride (85-44-9) + L-leucine (61-90-5,21675-61-6,25248-98-0,70-45-1) → N-phthalyl-L-leucine (2419-38-7,5115-57-1,19506-89-9,29588-87-2)

Guidance literature:

DOI:10.1007/BF00959578

Reference yield:

phthalic anhydride (85-44-9) + D-leucine (328-38-1,21675-61-6,25248-98-0,70-45-1) → 2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-4-methyl-pentanoic acid (2419-38-7,5115-57-1,19506-89-9,29588-87-2)

Guidance literature:

DOI:10.1007/BF00959578

upstream raw materials:

phthalic anhydride

LEUCINE

N-phthaloyl-(S)-leucine

2-iodo-propane

Downstream raw materials:

(2,5-Diethoxyphenyl)-(3-methyl-1-phthalimidobutyl)-keton

2-(1,3-dioxo-2-azaindane-2-yl)-4-methyl-1-phenylpentane-1-one

C₂₂H₂₂N₄O₂S

carbon dioxide

Refernces

• 1、 Ali, Tahir,Imran, Muhammad,Li, Jing Bo,Li, Shupeng,Nadeem, Humaira,Naz, Shagufta,Sarwar, Sadia,Shah, Fawad Ali,Tan, Zhen. "Amino acid conjugates of aminothiazole and aminopyridine as potential anticancer agents: Synthesis, molecular docking and in vitro evaluation". . p. 1459 - 1476. Retrieved 2021/04/19.
• 2、 Samir, Ali H.,Saeed, Ruwaidah S.,Matty, Fadhel S.. "Synthesis and study of modified polyvinyl alcohol containing amino acid moieties as anticancer agent". . p. 286 - 294. Retrieved 2018/03/21.