THUJIC ACID

Base Information

• Chemical Name: THUJIC ACID
• CAS No.: 499-89-8
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Mol file: 499-89-8.mol

Synonyms:NSC 36728;Thujic acid

Chemical Property of THUJIC ACID

Chemical Property:

• Vapor Pressure: 0.000708mmHg at 25°C
• Melting Point: 88-89°
• Refractive Index: 1.5480 (estimate)
• Boiling Point: 285.7°Cat760mmHg
• PKA: 4.22±0.40(Predicted)
• Flash Point: 133.7°C
• PSA: 37.30000
• Density: 1.075g/cm³
• LogP: 2.14960

Purity/Quality:

99% ^*data from raw suppliers

THUJIC ACID 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of THUJIC ACID

There total 4 articles about THUJIC 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:

(5,5-dimethyl-cyclohepta-1,3,6-trienyl)-methanol (103386-75-0) → thujic acid (499-89-8)

Guidance literature:

With chromium(VI) oxide; acetone;

Reference yield:

5,5-dimethyl-cyclohepta-1,3-dienecarboxylic acid (90925-53-4) → thujic acid (499-89-8)

Guidance literature:

With tetrachloromethane; N-Bromosuccinimide; Erhitzen des Reaktionsprodukts mit N,N-Dimethyl-anilin auf 170-180grad;

Reference yield:

acetic acid-(5,5-dimethyl-cyclohepta-1,3,6-trienylmethyl ester) (100256-49-3) → thujic acid (499-89-8)

Guidance literature:

Multi-step reaction with 2 steps

1: methanol. sodium methylate

2: CrO₃; aqueous acetone

With chromium(VI) oxide; sodium methylate; acetone;

upstream raw materials:

(5,5-dimethyl-cyclohepta-1,3,6-trienyl)-methanol

5,5-dimethyl-cyclohepta-1,3-dienecarboxylic acid

1-bromo-4,4-dimethyl-cycloheptanecarboxylic acid

acetic acid-(5,5-dimethyl-cyclohepta-1,3,6-trienylmethyl ester)

Downstream raw materials:

2,2-dimethylmalonic acid

p-isopropylbenzoic acid

5,5-dimethyl-cyclohepta-1,3,6-trienecarboxylic acid-(4-bromo-phenacyl ester)