Benzoyl chloride, 2-mercapto-

Base Information

• Chemical Name: Benzoyl chloride, 2-mercapto-
• CAS No.: 1677-25-4
• Molecular Formula: C7H5ClOS
• Molecular Weight: 172.635
• Hs Code.: 2930909090
• Mol file: 1677-25-4.mol

Synonyms:thiosalicyl chloride;2-Mercapto-benzoesaeure-chlorid;2-Mercapto-benzoylchlorid;thiosalycilic chloride;Thiosalicylsaeurechlorid;2-mercapto-benzoyl chloride;

Chemical Property of Benzoyl chloride, 2-mercapto-

Chemical Property:

• Melting Point: 46-48 °C
• Boiling Point: 262.7±23.0 °C(Predicted)
• PKA: 5.60±0.43(Predicted)
• PSA: 55.87000
• Density: 1.343±0.06 g/cm3(Predicted)
• LogP: 2.35430

Purity/Quality:

95% ^*data from raw suppliers

2-Mercaptobenzoyl chloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoyl chloride, 2-mercapto-

There total 3 articles about Benzoyl chloride, 2-mercapto- 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:

Thiosalicylic acid (147-93-3) → 2-mercaptobenzoyl chloride (1677-25-4)

Guidance literature:

With thionyl chloride;

DOI:10.1021/ja01216a051

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 2-mercaptobenzoyl chloride (1677-25-4)

Guidance literature:

Multi-step reaction with 3 steps

1.1: hydrogenchloride; sodium nitrite / water

1.2: 80 °C

2.1: hydrogenchloride; sodium hydroxide; sodium dithionite / water

3.1: thionyl chloride / dichloromethane / 3 h / 50 °C

With hydrogenchloride; thionyl chloride; sodium dithionite; sodium hydroxide; sodium nitrite; In dichloromethane; water;

DOI:10.1021/acs.jmedchem.5b00910

Reference yield:

C10H10O3S2 → 2-mercaptobenzoyl chloride (1677-25-4)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogenchloride; sodium hydroxide; sodium dithionite / water

2: thionyl chloride / dichloromethane / 3 h / 50 °C

With hydrogenchloride; thionyl chloride; sodium dithionite; sodium hydroxide; In dichloromethane; water;

DOI:10.1021/acs.jmedchem.5b00910

upstream raw materials:

Thiosalicylic acid

anthranilic acid

Downstream raw materials:

2-mercaptobenzoic acid hydrazide

(2-mercapto-phenyl)-morpholin-4-yl-methanone

2-mercapto-N,N-diethyl-benzamide

benzyl 2-mercaptobenzoate

Refernces

• 1、 Singh, Gurjaspreet,Rani, Sunita,Arora, Aanchal,Aulakh, Darpandeep,Wriedt, Mario. "Thioester-appended organosilatranes: Synthetic investigations and application in the modification of magnetic silica surfaces". . p. 6200 - 6213. Retrieved 2016/07/19.
• 2、 Capuzzi, Marinella,Perdicchia, Dario,Jorgensen, Karl Anker. "Highly enantioselective approach to geminal bisphosphonates by organocatalyzed michael-type addition of β-ketoesters". . p. 128 - 135. Retrieved 2008/09/18.