Terebic acid

Base Information

• Chemical Name: Terebic acid
• CAS No.: 79-91-4
• Molecular Formula: C7H10 O4
• Molecular Weight: 158.154
• Hs Code.: 2932190090
• European Community (EC) Number: 201-233-2
• UNII: 5LZG478K6E
• DSSTox Substance ID: DTXSID201000184
• Nikkaji Number: J4.243I
• Wikidata: Q27262538
• Mol file: 79-91-4.mol

Synonyms:2,2-dimethyl-5-oxotetrahydrofuran-3-carboxylic acid;terebic acid

Chemical Property of Terebic acid

Chemical Property:

• Vapor Pressure: 9.29E-06mmHg at 25°C
• Melting Point: 175 °C
• Refractive Index: 1.4610 (estimate)
• Boiling Point: 347.6°C at 760 mmHg
• PKA: 3.87±0.40(Predicted)
• Flash Point: 148.6°C
• PSA: 63.60000
• Density: 0.815
• LogP: 0.41270
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 158.05790880
• Heavy Atom Count: 11
• Complexity: 207

Purity/Quality:

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

2,2-dimethyl-5-oxotetrahydrofuran-3-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1(C(CC(=O)O1)C(=O)O)C

Technology Process of Terebic acid

There total 94 articles about Terebic 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:

D-limonene (5989-27-5,555-08-8,8022-90-0,9003-73-0,95327-98-3) → terpenylic acid (116-51-8,26754-48-3) + terebic acid (79-91-4,97416-85-8)

Guidance literature:

With chromic acid; inactive terpenylic acid;

Reference yield:

→ terpenylic acid (116-51-8,26754-48-3) + terebic acid (79-91-4,97416-85-8)

Guidance literature:

With potassium permanganate; Ansaeuern der Reaktionsfluessigkeit;

Reference yield:

→ terpenylic acid (116-51-8,26754-48-3) + terebic acid (79-91-4,97416-85-8)

Guidance literature:

With nitric acid;

upstream raw materials:

methyl magnesium iodide

diethyl acetylsuccinate

2-isopropylsuccinic acid

2-isopropylidenesuccinic acid

Downstream raw materials:

dihydro-5,5-dimethyl-2(3H)-furanone

4-methyl-pent-3-enoic acid

2-isopropylidenesuccinic acid

4-Methylpentanoic acid

Refernces

• 1、 Pitts et al.. "-". . p. 1068,1071. Retrieved 1959.
• 2、 Fukuyama, Takahide,Yamada, Keiichi,Nishikawa, Tomohiro,Ravelli, Davide,Fagnoni, Maurizio,Ryu, Illhyong. "Site-selectivity in TBADT-photocatalyzed C(sp3)H functionalization of saturated alcohols and alkanes". supporting information. p. 207 - 209. Retrieved 2018/02/07.
• 3、 Ouchi, Akihiko,Liu, Chuanxiang,Kaneda, Masayuki,Hyugano, Takeshi. "Photochemical C-C bond formation between alcohols and olefins by an environmentally benign radical reaction". supporting information. p. 3807 - 3816. Retrieved 2013/07/25.