4-Bromo-1,1-dimethoxybutane

Base Information

• Chemical Name: 4-Bromo-1,1-dimethoxybutane
• CAS No.: 24157-02-6
• Molecular Formula: C6H13 Br O2
• Molecular Weight: 197.072
• Hs Code.: 2911000000
• European Community (EC) Number: 851-183-6
• DSSTox Substance ID: DTXSID60439579
• Nikkaji Number: J1.199.480F
• Wikidata: Q82255565
• Mol file: 24157-02-6.mol

Synonyms:4-BROMO-1,1-DIMETHOXYBUTANE;24157-02-6;4-Bromobutyraldehyde dimethylacetal;Butane, 4-bromo-1,1-dimethoxy-;4,4-dimethoxybutylbromide;4-bromobutanal dimethyl acetal;SCHEMBL4872445;DTXSID60439579;QPNPLSCMVPQSEZ-UHFFFAOYSA-N;4-bromobutyraldehyde dimethyl acetal;MFCD02262158;AKOS006282055;SY059218;A4992;FT-0718632;EN300-69939

Chemical Property of 4-Bromo-1,1-dimethoxybutane

Chemical Property:

• Vapor Pressure: 0.887mmHg at 25°C
• Refractive Index: 1.446
• Boiling Point: 45-50℃ (1 Torr)
• Flash Point: 59.695°C
• PSA: 18.46000
• Density: 1.281g/cm³
• LogP: 1.78040
• Storage Temp.: Sealed in dry,Store in freezer, under -20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 196.00989
• Heavy Atom Count: 9
• Complexity: 55

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-1,1-dimethoxybutane 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(CCCBr)OC

Technology Process of 4-Bromo-1,1-dimethoxybutane

There total 7 articles about 4-Bromo-1,1-dimethoxybutane 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: 99.0%

methanol (67-56-1) + 4-bromobutyraldehyde (38694-47-2) → 4-bromo-1,1-dimethoxybutane (24157-02-6)

Guidance literature:

With trimethyl orthoformate; at 20 ℃; for 0.5h;

DOI:10.1080/00397910802219361

Reference yield: 71.0%

methanol (67-56-1) + 4-bromo-1-acetoxy-1-butene → 4-bromo-1,1-dimethoxybutane (24157-02-6)

Guidance literature:

With amberlyst-15; Heating;

DOI:10.1080/00304940409356636

Reference yield:

carbon tetrabromide (558-13-4) + 4-hydroxybutanal dimethyl acetal (23068-87-3) → 4-bromo-1,1-dimethoxybutane (24157-02-6)

Guidance literature:

With triphenylphosphine; In N-methyl-acetamide;

upstream raw materials:

tetrahydrofuran

trimethyl orthoformate

methanol

4-bromobutyraldehyde

Downstream raw materials:

2-(4,4-dimethoxybutyl)cyclohexan-1-one

(S)-6,6-Dimethoxy-2-((S)-2-methyl-4-oxo-cyclohex-2-enyl)-hexanenitrile

3-(4-methoxy-3-butenyl)-2-cyclohexen-1-one

6,6-dimethoxy-2-(4,4-dimethoxy-1-cyclohexenyl)hexan-1-yl p-toluenosylfonate

Refernces

• 1、 Hyatt, John A.. "A novel and convenient synthesis of 4-halobutyraldehyde acetals". . p. 487 - 490. Retrieved 2004.
• 2、 Mansilla, Horacio,Afonso, Maria M.. "Iron(III) tosylate in the preparation of dimethyl and diethyl acetals from ketones and β-keto enol ethers from cyclic β-diketones". . p. 2607 - 2618. Retrieved 2008/12/22.