Pht-val-OH

Base Information

• Chemical Name: Pht-val-OH
• CAS No.: 6306-54-3
• Molecular Formula: C13H13 N O4
• Molecular Weight: 247.251
• Hs Code.: 2925190090
• NSC Number: 22912
• Nikkaji Number: J1.037.206B
• ChEMBL ID: CHEMBL1741470
• Mol file: 6306-54-3.mol

Synonyms:PHT-VAL-OH;6306-54-3;Phthaloyl-L-Valine;(S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoic acid;(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoic acid;[(2S)-1-Methoxy-3-methyl-1-oxobutan-2-yl]azanium;chloride;MFCD00191000;NSC-27515;(S)-N-Phthaloylvaline;Pht-Val-OH, AldrichCPR;NCIStruc1_000534;NCIStruc2_000483;(2S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methyl-butanoic acid;SCHEMBL542855;N,N-PHTHALOYL-L-VALINE;CHEMBL1741470;NCI27515;NSC22912;CCG-38006;NCGC00013342;NSC-22912;AKOS015969558;AM82381;NCGC00013342-02;NCGC00096459-01;BS-29044;CS-0197344;EN300-7056745;(S)-2-(1,3-Dioxoisoindolin-2-yl)-3-methylbutanoicacid;(2S)-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanoic acid

Chemical Property of Pht-val-OH

Chemical Property:

• Vapor Pressure: 1.11E-07mmHg at 25°C
• Melting Point: 114-115 °C
• Boiling Point: 416.5°C at 760 mmHg
• PKA: 3?+-.0.10(Predicted)
• Flash Point: 205.7°C
• PSA: 74.68000
• Density: 1.353g/cm³
• LogP: 1.32970
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 247.08445790
• Heavy Atom Count: 18
• Complexity: 367

Purity/Quality:

99% ^*data from raw suppliers

Phthaloyl-L-Valine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O
• Isomeric SMILES: CC(C)[C@@H](C(=O)O)N1C(=O)C2=CC=CC=C2C1=O

Technology Process of Pht-val-OH

There total 15 articles about Pht-val-OH 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: 100.0%

phthalic anhydride (85-44-9) + L-valine (72-18-4,25609-85-2,7004-03-7,921-10-8) → N-phthaloyl L-valine (6306-54-3)

Guidance literature:

at 135 ℃;

Reference yield: 92.0%

phthalic anhydride (85-44-9) + D-Val-OH (640-68-6,25609-85-2,7004-03-7,921-10-8) → (R)-N-phthaloylvaline (5115-65-1,6306-53-2,6306-54-3,19506-85-5)

Guidance literature:

With triethylamine; In toluene; Heating;

DOI:10.1016/j.tet.2005.07.049

Reference yield: 89.0%

L-valine hydrochloride (17498-50-9,25616-14-2,31320-20-4) + methyl 2-(N-succinimidyloxycarbonyl)benzoate (438470-19-0) → N-phthaloyl L-valine (6306-54-3)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 3h;

DOI:10.1021/jo016347h

upstream raw materials:

phthalic anhydride

D-Val-OH

C₁₉H₂₉NO₄Si₂

N-phthaloyl-DL-valine

Downstream raw materials:

N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyramide

(S)-N-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-methyl-butyramide

(N-isobutyl)phthalimide

4-benzyl-6-(phenoxathiin-2-yl)-3-(N-phthalyl-L-valyl)amino-pyrimidine

Refernces

• 1、 Vicens, Laia,Bietti, Massimo,Costas, Miquel. "General Access to Modified α-Amino Acids by Bioinspired Stereoselective γ-C?H Bond Lactonization". supporting information. p. 4740 - 4746. Retrieved 2020/12/25.
• 2、 -. "AMINO ACID DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES". Page/Page column 33. . Retrieved 2020/08/13.