1-Propyne, 3-(2-bromoethoxy)-

Base Information

• Chemical Name: 1-Propyne, 3-(2-bromoethoxy)-
• CAS No.: 18668-74-1
• Molecular Formula: C5H7BrO
• Molecular Weight: 163.014
• Hs Code.: 2909199090
• European Community (EC) Number: 871-981-8
• NSC Number: 148215
• DSSTox Substance ID: DTXSID20302038
• Nikkaji Number: J109.085B
• Wikidata: Q82046553
• Mol file: 18668-74-1.mol

Synonyms:3-(2-bromoethoxy)prop-1-yne;18668-74-1;1-Propyne, 3-(2-bromoethoxy)-;2-Bromoethyl(2-propynyl) ether;Ether, 2-bromoethyl 2-propynyl;3-(2-Bromoethoxy)-1-propyne;NSC 148215;NSC148215;2-bromoethyl propargyl ether;2-Bromoethyl(2-propynyl)ether;SCHEMBL10926047;DTXSID20302038;2-Bromoethyl 2-propynyl ether #;AT27714;NSC-148215;EN300-170256

Chemical Property of 1-Propyne, 3-(2-bromoethoxy)-

Chemical Property:

• Vapor Pressure: 1.22mmHg at 25°C
• Boiling Point: 180.4°Cat760mmHg
• Flash Point: 70.2°C
• PSA: 9.23000
• Density: 1.425g/cm³
• LogP: 1.03110
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 161.96803
• Heavy Atom Count: 7
• Complexity: 71.4

Purity/Quality:

99% ^*data from raw suppliers

3-(2-Bromoethoxy)-1-propyne 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C#CCOCCBr

Technology Process of 1-Propyne, 3-(2-bromoethoxy)-

There total 4 articles about 1-Propyne, 3-(2-bromoethoxy)- 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: 92.0%

2-(prop-2-ynyloxy)ethanol (3973-18-0) → bromo-1 propargyloxy-2 ethane (18668-74-1)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In dichloromethane; acetonitrile; at 0 ℃; for 0.5h;

DOI:10.1021/acs.orglett.1c01323

Reference yield: 85.0%

ethanol-2-(2-propyn-1-yloxy) 1-(4-methylbenzenesulfonate) (145916-41-2) → bromo-1 propargyloxy-2 ethane (18668-74-1)

Guidance literature:

With lithium bromide; In N,N-dimethyl-formamide; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1021/ja4051923

Reference yield:

1-bromo-2-(chloromethoxy)ethane (1462-35-7) + acetylenemagnesium bromide (4301-14-8) → bromo-1 propargyloxy-2 ethane (18668-74-1)

Guidance literature:

upstream raw materials:

2-(prop-2-ynyloxy)ethanol

1-bromo-2-(chloromethoxy)ethane

acetylenemagnesium bromide

ethanol-2-(2-propyn-1-yloxy) 1-(4-methylbenzenesulfonate)

Downstream raw materials:

<3-(2-Bromethoxy)-propenyl>-methyldipropylsilan

<3-(2-Bromethoxy)-propenyl>-dibutylmethylsilan

1-vinyloxy-2-propyne

α,ω-bis(O-propargyl)ethylene glycol