4-Bromobutylphosphonic acid

Base Information

• Chemical Name: 4-Bromobutylphosphonic acid
• CAS No.: 1190-14-3
• Molecular Formula: C₄H₁₀BrO₃P
• Molecular Weight: 216.999
• European Community (EC) Number: 810-973-0
• Mol file: 1190-14-3.mol

Synonyms:4-bromobutylphosphonic acid;1190-14-3;(4-Bromobutyl)phosphonic Acid;(4-Bromobutyl)phosphonicacid;SCHEMBL4144991;AMY31172;BAA19014;MFCD00466589;AKOS026671315;BP-21734;HY-140328;B5014;CS-0115735;C70021;A920170

Chemical Property of 4-Bromobutylphosphonic acid

Chemical Property:

• Melting Point: 127.0 to 131.0 °C
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 215.95509
• Heavy Atom Count: 9
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

(4-Bromobutyl)phosphonic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(CCBr)CP(=O)(O)O

Technology Process of 4-Bromobutylphosphonic acid

There total 3 articles about 4-Bromobutylphosphonic acid 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: 66.0%

diisopropyl-(4-bromobutyl)phosphonate (147461-17-4) → (4-bromobutyl)phosphonic acid (1190-14-3)

Guidance literature:

With water; hydrogen bromide; for 5h; Reflux;

DOI:10.1039/b821301a

Reference yield:

1,4-dibromo-butane (110-52-1) + triethyl phosphite (122-52-1) → (4-bromobutyl)phosphonic acid (1190-14-3)

Guidance literature:

Multistep reaction; (i) (heating), (ii) aq. HBr;

DOI:10.1021/ja01080a021

Reference yield:

1,4-dibromo-butane (110-52-1) + dibutyl hydrogen phosphite (109-47-7) → (4-bromobutyl)phosphonic acid (1190-14-3)

Guidance literature:

Multistep reaction; (i) Na, PE, (ii) /BRN= 1071199/, (iii) aq. HBr;

upstream raw materials:

1,4-dibromo-butane

dibutyl hydrogen phosphite

triethyl phosphite

diisopropyl-(4-bromobutyl)phosphonate

Refernces

• 1、 Chessa, Simona,Clayden, Nigel J.,Bochmann, Manfred,Wright, Joseph A.. "α-Zirconium phosphonates: Versatile supports for N-heterocyclic carbenes". supporting information; experimental part. p. 797 - 799. Retrieved 2009/07/10.