2-Phenylpentanedioic acid

Base Information

• Chemical Name: 2-Phenylpentanedioic acid
• CAS No.: 26410-02-6
• Molecular Weight: 248.36056
• NSC Number: 128323
• DSSTox Substance ID: DTXSID50299124,DTXSID40949308
• Mol file: 26410-02-6.mol

Synonyms:2-phenylpentanedioic acid;2628-87-7;2-phenyl-pentanedioic acid;NSC128323;2-Phenylpentanedioato(2-);SCHEMBL652523;DTXSID40949308;DTXSID50299124;AKOS015917622;NSC-128323;26410-02-6;FT-0657014;EN300-204031;A818361

Chemical Property of 2-Phenylpentanedioic acid

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.07355886
• Heavy Atom Count: 15
• Complexity: 231

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CCC(=O)O)C(=O)O

Technology Process of 2-Phenylpentanedioic acid

There total 17 articles about 2-Phenylpentanedioic 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:

C17H24O2S2 → methyl zizanoate (18444-89-8,26410-02-6)

Guidance literature:

Multi-step reaction with 8 steps

1: Raney-Ni / ethanol / Heating

2: (i) OsO₄, Py, Et₂O, (ii) aq. NaHSO₃

3: Py, Et₃N

4: Py, Et₃N / Heating

5: LiAlH₄ / diethyl ether

6: CrO₃, aq. H₂SO₄ / acetone

7: diethyl ether

8: (i) Et₂O, (ii) POCl₃, Py

With pyridine; chromium(VI) oxide; lithium aluminium tetrahydride; sulfuric acid; triethylamine; nickel; In diethyl ether; ethanol; acetone;

DOI:10.1016/S0040-4020(01)98013-5

Reference yield:

(3S,3aS,6R,8aS)-3-Hydroxymethyl-7,7-dimethyl-octahydro-3a,6-methano-azulen-8-ol (43010-32-8) → methyl zizanoate (18444-89-8,26410-02-6)

Guidance literature:

Multi-step reaction with 3 steps

1: CrO₃, aq. H₂SO₄ / acetone

2: diethyl ether

3: (i) Et₂O, (ii) POCl₃, Py

With chromium(VI) oxide; sulfuric acid; In diethyl ether; acetone;

DOI:10.1016/S0040-4020(01)98013-5

Reference yield:

(2R,4aS,5S)-1,1-Dimethyl-1,3,4,5,6,7-hexahydro-2H-2,4a-methano-naphthalene-5-carboxylic acid methyl ester (26560-71-4,33171-66-3) → methyl zizanoate (18444-89-8,26410-02-6)

Guidance literature:

Multi-step reaction with 7 steps

1: (i) OsO₄, Py, Et₂O, (ii) aq. NaHSO₃

2: Py, Et₃N

3: Py, Et₃N / Heating

4: LiAlH₄ / diethyl ether

5: CrO₃, aq. H₂SO₄ / acetone

6: diethyl ether

7: (i) Et₂O, (ii) POCl₃, Py

With pyridine; chromium(VI) oxide; lithium aluminium tetrahydride; sulfuric acid; triethylamine; In diethyl ether; acetone;

DOI:10.1016/S0040-4020(01)98013-5

upstream raw materials:

methyl iodide

diazomethane

(+)-zizanoic acid

(3S,3aR,6R,8S,8aS)-8-Hydroxy-7,7,8-trimethyl-octahydro-3a,6-methano-azulene-3-carboxylic acid

Downstream raw materials:

methyl epizizanoate

(3S,3aS,6R,8aS)-3,7,7-trimethyl-8-methyleneoctahydro-1H-3a,6-methanoazulene