2-Bromo-1,1,1-triethoxypropane

Base Information

• Chemical Name: 2-Bromo-1,1,1-triethoxypropane
• CAS No.: 42216-95-5
• Molecular Formula: C9H19 Br O3
• Molecular Weight: 255.14900
• Hs Code.: 2909199090
• DSSTox Substance ID: DTXSID60381367
• Nikkaji Number: J3.453.919G
• Mol file: 42216-95-5.mol

Synonyms:2-bromo-1,1,1-triethoxypropane;42216-95-5;SCHEMBL1544663;1,1,1-triethoxy-2-bromopropane;DTXSID60381367;GMWXMYZMODXKMM-UHFFFAOYSA-N;MFCD00204235;SY292148;CS-0452347;FT-0611355

Chemical Property of 2-Bromo-1,1,1-triethoxypropane

Chemical Property:

• Vapor Pressure: 0.0211mmHg at 25°C
• Boiling Point: 70oC 12mm
• Flash Point: 102.4oC
• PSA: 27.69000
• Density: 1.216g/cm3
• LogP: 2.53310
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 254.05176
• Heavy Atom Count: 13
• Complexity: 113

Purity/Quality:

98%Min ^*data from raw suppliers

2-BROMO-1,1,1-TRIETHOXYPROPANE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(C(C)Br)(OCC)OCC

Technology Process of 2-Bromo-1,1,1-triethoxypropane

There total 1 articles about 2-Bromo-1,1,1-triethoxypropane 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%

Triethyl orthopropionate (115-80-0) → 2-bromo-1,1,1-triethoxypropane (42216-95-5)

Guidance literature:

With pyridine; bromine; for 3h; Cooling with ice;

DOI:10.1080/00397911.2017.1376334

Reference yield: 82.0%

2-bromo-1,1,1-triethoxypropane (42216-95-5) → triethyl orthoacrylate (42216-96-6)

Guidance literature:

With potassium tert-butylate; In dimethyl sulfoxide; Ambient temperature;

DOI:10.1016/0040-4039(88)85175-X

Reference yield: 33.0%

5-chloro-2-fluoro-benzoic acid hydrazide (657424-44-7) + 2-bromo-1,1,1-triethoxypropane (42216-95-5) → 2-(1-bromo-ethyl)-5-(5-chloro-2-fluoro-phenyl)-[1,3,4]oxadiazole (657424-50-5)

Guidance literature:

at 60 - 120 ℃; for 1.5h;

upstream raw materials:

Triethyl orthopropionate

Downstream raw materials:

1,1-di-ethoxyprop-1-ene

triethyl orthoacrylate

3,3,3-triethoxypropyne

ethyl 4-methylcyclohexa-1,4-dienecarboxylate

Refernces

• 1、 Karanfil, Abdullah,Eskici, Mustafa. "Practical synthesis of functionalized terminal alkynes, 3,3,3-triethoxypropyne and ketal protected prop-2-ynones". supporting information. p. 2342 - 2351. Retrieved 2017/12/12.