4-Iodobutyl benzoate

Base Information

• Chemical Name: 4-Iodobutyl benzoate
• CAS No.: 19097-44-0
• Molecular Formula: C11H13 I O2
• Molecular Weight: 304.128
• Hs Code.: 2916310090
• NSC Number: 139995
• DSSTox Substance ID: DTXSID40300915
• Nikkaji Number: J1.220.268G
• Wikidata: Q82044343
• Mol file: 19097-44-0.mol

Synonyms:4-iodobutyl benzoate;19097-44-0;4-iodobutylbenzoate;NSC139995;chloromethylphenylsulfide;DTXSID40300915;1-Butanol, 4-iodo-, 1-benzoate;MFCD00277719;NSC-139995;BP-29663

Chemical Property of 4-Iodobutyl benzoate

Chemical Property:

• Vapor Pressure: 0.000167mmHg at 25°C
• Boiling Point: 330.4°C at 760 mmHg
• Flash Point: 153.6°C
• PSA: 26.30000
• Density: 1.554g/cm³
• LogP: 3.05860
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 303.99603
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

4-Iodobutylbenzoate 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OCCCCI

Technology Process of 4-Iodobutyl benzoate

There total 8 articles about 4-Iodobutyl benzoate 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: 100.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + benzoyl chloride (98-88-4) → 4-iodobutylbenzoate (19097-44-0)

Guidance literature:

With bis(iodozinc)methane; at 25 ℃; for 2h;

DOI:10.1055/s-1999-2877

Reference yield: 81.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + benzoyl chloride (98-88-4) → 4-iodobutylbenzoate (19097-44-0) + 4-(4-iodobutoxy)butyl benzoate

Guidance literature:

With 1,1-diiodoethane; Sm₂Co₇; at 25 ℃; for 24h;

DOI:10.1002/1099-0690(200011)2000:22<3799::AID-EJOC3799>3.0.CO;2-N

Reference yield: 73.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + benzoic acid anhydride (93-97-0) → 4-iodobutylbenzoate (19097-44-0)

Guidance literature:

With samarium (III) iodide; In acetonitrile; for 3h; Ambient temperature;

DOI:10.1080/00304949709355207

upstream raw materials:

tetrahydrofuran

benzoyl chloride

benzoic acid anhydride

4-benzoyloxybutan-1-ol

Downstream raw materials:

4-[4-(benzoyloxy)butyl]benzenecarbonitrile

benzoic acid, butyl ester

tribenzyltin iodide

4-azidobutyl benzoate

Refernces

• 1、 Bao, Weiliang,Ying, Taokai,Zhang, Yongmin,Yu, Mingxin. "Tetrahydrofuran ring-opening with acid anhydrides catalyzed by samarium triiodide". . p. 335 - 337. Retrieved 1997.
• 2、 -. "Novel total synthesis method of 13a-hydroxy tylophorine". Paragraph 0021. . Retrieved 2018/04/01.
• 3、 Bates, Roderick W.,Dewey, Mark R.. "A formal synthesis of swainsonine by gold-catalyzed allene cyclization". supporting information; experimental part. p. 3706 - 3708. Retrieved 2011/02/25.