3,5-Dibromobenzoyl Chloride

Base Information

• Chemical Name: 3,5-Dibromobenzoyl Chloride
• CAS No.: 23950-59-6
• Molecular Formula: C₇H₃Br₂ClO
• Molecular Weight: 298.361
• DSSTox Substance ID: DTXSID90541179
• Nikkaji Number: J152.942K
• Wikidata: Q82417448
• Mol file: 23950-59-6.mol

Synonyms:3,5-Dibromobenzoyl Chloride;23950-59-6;3,5-dibromobenzoic acid chloride;3,5-DibromobenzoylChloride;3,5-Dibromo-Benzoylchloride;SCHEMBL985711;DTXSID90541179;F87874;A912740

Chemical Property of 3,5-Dibromobenzoyl Chloride

Chemical Property:

• Melting Point: 32-35 °C
• Boiling Point: 90 °C(Press: 0.4 Torr)
• Density: 2.013±0.06 g/cm3(Predicted)
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 297.82187
• Heavy Atom Count: 11
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dibromobenzoylchloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1Br)Br)C(=O)Cl

Technology Process of 3,5-Dibromobenzoyl Chloride

There total 5 articles about 3,5-Dibromobenzoyl Chloride 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: 80.0%

3,5-dibromobenzoic acid (618-58-6) → 3,5-dibromobenzoyl chloride (23950-59-6)

Guidance literature:

With phosphorus pentachloride; for 0.166667h; Heating;

Reference yield:

methyl 3,5-dibromobenzoate (51329-15-8) → 3,5-dibromobenzoyl chloride (23950-59-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 66 percent / KOH / methanol; H₂O / 4 h / Heating

2: thionyl chloride / 1 h / Heating

With potassium hydroxide; thionyl chloride; In methanol; water;

Reference yield:

anthranilic acid (118-92-3,159201-01-1,50816-84-7,80206-34-4,104809-47-4) → 3,5-dibromobenzoyl chloride (23950-59-6)

Guidance literature:

Multi-step reaction with 3 steps

2: 66 percent / KOH / methanol; H₂O / 4 h / Heating

3: thionyl chloride / 1 h / Heating

With potassium hydroxide; thionyl chloride; In methanol; water;

upstream raw materials:

3,5-dibromobenzoic acid

methyl 3,5-dibromobenzoate

anthranilic acid

4-amino-3,5-dibromobenzoic acid

Downstream raw materials:

3,5-dibromobenzamide

(E)-3-(3,5-Dibromo-benzoylamino)-2-methyl-but-2-enoic acid ethyl ester

(3,5-dibromophenyl)(phenyl)methanone

1-(3,5-Dibromphenyl)-3-(1,3-dioxan-2-yl)-1-propanon

Refernces

• 1、 Liang, Xin-Ting,Chen, Jia-Hua,Yang, Zhen. "Asymmetric Total Synthesis of (-)-Spirochensilide A". . p. 8116 - 8121. Retrieved 2020.
• 2、 Suigo, Lorenzo,Chojnacki, Michaelle,Zanotto, Carlo,Sebastián-Pérez, Victor,Morghen, Carlo De Giuli,Casiraghi, Andrea,Dunman, Paul M.,Valoti, Ermanno,Straniero, Valentina. "Staphylococcus aureus rnpa inhibitors: Computational-guided design, synthesis and initial biological evaluation". . . Retrieved 2021/05/04.
• 3、 Yamada, Tsuyoshi,Kuwata, Marina,Takakura, Ryoya,Monguchi, Yasunari,Sajiki, Hironao,Sawama, Yoshinari. "Organocatalytic Nitroaldol Reaction Associated with Deuterium-Labeling". supporting information. p. 637 - 641. Retrieved 2017/12/13.