Carbonic acid, 4-(chlorocarbonyl)-2,6-dimethoxyphenyl ethyl ester

Base Information

• Chemical Name: Carbonic acid, 4-(chlorocarbonyl)-2,6-dimethoxyphenyl ethyl ester
• CAS No.: 18780-68-2
• Molecular Formula: C12H13ClO6
• Molecular Weight: 288.685
• Mol file: 18780-68-2.mol

Synonyms:3.5-Dimethoxy-4-aethoxycarbonyloxy-benzoylchlorid;3.5-Dimethoxy-4-aethoxycabonyloxy-benzoylchlorid;3,5-dimethoxy-4-ethoxycarbonyloxybenzoyl chloride;4-Aethoxycarbonyloxy-3,5-dimethoxy-benzoylchlorid;4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl chloride;Carbaethoxysyringoyl-chlorid;

Chemical Property of Carbonic acid, 4-(chlorocarbonyl)-2,6-dimethoxyphenyl ethyl ester

Chemical Property:

• Melting Point: 74-75 °C
• Boiling Point: 416.2±45.0 °C(Predicted)
• PSA: 71.06000
• Density: 1.286±0.06 g/cm3(Predicted)
• LogP: 2.61810

Purity/Quality:

4-(Chlorocarbonyl)-2,6-dimethoxyphenylethylcarbonate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Carbonic acid, 4-(chlorocarbonyl)-2,6-dimethoxyphenyl ethyl ester

There total 4 articles about Carbonic acid, 4-(chlorocarbonyl)-2,6-dimethoxyphenyl ethyl ester 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: 74.6%

4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoic acid (18780-67-1) → 4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl chloride (18780-68-2)

Guidance literature:

With thionyl chloride; for 0.5h; Reflux;

DOI:10.1016/j.fitote.2021.105108

Reference yield:

Eudesmic acid (118-41-2) → 4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl chloride (18780-68-2)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sodium hydroxide / 4 h / 160 °C

1.2: pH 3

2.1: sodium hydroxide / water / 0 °C

3.1: thionyl chloride / 0.5 h / Reflux

With thionyl chloride; sodium hydroxide; In water;

DOI:10.1016/j.fitote.2021.105108

Reference yield:

3,5-dimethoxy-4-hydroxybenzoic acid (530-57-4) → 4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl chloride (18780-68-2)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH-solution

2: phosphorus pentachloride

With sodium hydroxide; phosphorus pentachloride;

upstream raw materials:

4-[(ethoxycarbonyl)oxy]-3,5-dimethoxybenzoic acid

3,5-dimethoxy-4-hydroxybenzoic acid

Eudesmic acid

Downstream raw materials:

4-ethoxycarbonyloxy-3,5-dimethoxy-benzoic acid-(3-pyrrolidino-propyl ester)

4-ethoxycarbonyloxy-3,5-dimethoxy-benzoic acid-(3-dimethylamino-propyl ester)

syrosingopine

2-(4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl)-[1,2]oxazinane

Refernces

• 1、 Chen, Guoguang,Ren, Lili,Wang, Jin,Wei, Jie,Zhou, Yaxin. "Leonurine hydrochloride-a new drug for the treatment of menopausal syndrome: Synthesis, estrogen-like effects and pharmacokinetics". . . Retrieved 2021/12/31.
• 2、 -. "Herba Leonuri (motherwort) a method of synthesis of alkali (by machine translation)". Paragraph 0050; 0051; 0052; 0053; 0054. . Retrieved 2016/10/10.