4-Iodo-1-butanol

Base Information

• Chemical Name: 4-Iodo-1-butanol
• CAS No.: 3210-08-0
• Molecular Formula: C4H9IO
• Molecular Weight: 200.019
• Hs Code.: 29055900
• European Community (EC) Number: 842-809-9
• Nikkaji Number: J955.997C
• Mol file: 3210-08-0.mol

Synonyms:4-iodobutan-1-ol;4-iodo-1-butanol;3210-08-0;4-iodobutanol;SCHEMBL1617697;MFCD20414983;AKOS014114838;BS-16502;CS-0130048;D81265;EN300-1250516

Chemical Property of 4-Iodo-1-butanol

Chemical Property:

• Melting Point: 103-104 °C
• Boiling Point: 72 °C
• PKA: 15.01±0.10(Predicted)
• PSA: 20.23000
• Density: 1.803±0.06 g/cm3(Predicted)
• LogP: 1.19390
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 199.96981
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

99.0% ^*data from raw suppliers

4-Iodo-1-butanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCI)CO

Technology Process of 4-Iodo-1-butanol

There total 3 articles about 4-Iodo-1-butanol 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: 70.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) → 1,4-Diiodobutane (628-21-7) + 4-iodo-butan-1-ol (3210-08-0)

Guidance literature:

With aluminium(III) iodide; In acetonitrile; for 5h; Heating;

DOI:10.1016/S0040-4039(01)91058-5

Reference yield: 42.0%

Butane-1,4-diol (110-63-4) → 1,4-Diiodobutane (628-21-7) + 4-iodo-butan-1-ol (3210-08-0) + C8H17I2O3P

Guidance literature:

With diphosphorous tetraiodide; In carbon disulfide; for 4h; Ambient temperature;

Reference yield:

(2,2'-bipyridine)Ni(OCH2CH2CH2CH2) (147043-22-9) → homoalylic alcohol (627-27-0) + 4-iodo-butan-1-ol (3210-08-0)

Guidance literature:

With iodine; In dichloromethane-d2; at -90 - 25 ℃; for 10h; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.0c07381

upstream raw materials:

tetrahydrofuran

Butane-1,4-diol

(2,2'-bipyridine)Ni(OCH₂CH₂CH₂CH₂)

Downstream raw materials:

2-(4-iodobutoxy)tetrahydropyran

2-[2,2-dimethyl-1-phenylpropyl]propanedinitrile

2-Allyl-2-(5-hydroxy-1-phenyl-pentyl)-malononitrile

1-{[dimethyl(1,1-dimethylethyl)silyl]oxy}-4-iodobutane