4-(Propan-2-ylidene)heptanedioic acid

Base Information

• Chemical Name: 4-(Propan-2-ylidene)heptanedioic acid
• CAS No.: 26430-98-8
• Molecular Formula: C10H16 O4
• Molecular Weight: 200.235
• NSC Number: 125599
• DSSTox Substance ID: DTXSID60949320
• Wikidata: Q82927212
• Mol file: 26430-98-8.mol

Synonyms:26430-98-8;4-(propan-2-ylidene)heptanedioic acid;NSC125599;DTXSID60949320;NSC-125599

Chemical Property of 4-(Propan-2-ylidene)heptanedioic acid

Chemical Property:

• Vapor Pressure: 3.29E-07mmHg at 25°C
• Boiling Point: 391.2°Cat760mmHg
• Flash Point: 204.6°C
• Density: 1.137g/cm³
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 200.10485899
• Heavy Atom Count: 14
• Complexity: 229

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-(Propan-2-ylidene)heptanedioic acid

There total 7 articles about 4-(Propan-2-ylidene)heptanedioic 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:

→ 4-isopropylidene-heptanedioic acid (26430-98-8)

Guidance literature:

With copper; at 195 - 200 ℃;

Reference yield:

1,1,5,5-Tetra-ethoxycarbonyl-3-isopropyliden-pentan (26430-97-7) → 4-isopropylidene-heptanedioic acid (26430-98-8)

Guidance literature:

With potassium hydroxide; In ethylene glycol;

DOI:10.1021/jo00800a035

Reference yield:

diethyl isopropylidenemalonate (6802-75-1) → 4-isopropylidene-heptanedioic acid (26430-98-8)

Guidance literature:

Multi-step reaction with 4 steps

1: (i) LiAlH₄, Et₂O, (ii) AcOEt, (iii) aq. KOH, MeOH

2: aq. HBr, PBr₃

3: NaH / 1,2-dimethoxy-ethane

4: KOH / ethane-1,2-diol

With potassium hydroxide; hydrogen bromide; phosphorus tribromide; sodium hydride; In 1,2-dimethoxyethane; ethylene glycol;

DOI:10.1021/jo00800a035

upstream raw materials:

4-isopropylidene-heptanedioic acid diethyl ester

1,1,5,5-Tetra-ethoxycarbonyl-3-isopropyliden-pentan

3-isopropenyl-pentane-1,3,5-tricarboxylic acid

diethyl isopropylidenemalonate

Downstream raw materials:

succinic acid

acetone

γ-Isopropyliden-pimelinsaeure-dimethylester