Benzyl propargyl ether

Base Information

• Chemical Name: Benzyl propargyl ether
• CAS No.: 4039-82-1
• Molecular Formula: C10H10 O
• Molecular Weight: 146.189
• Hs Code.: 29093090
• European Community (EC) Number: 688-068-3
• DSSTox Substance ID: DTXSID50426059
• Nikkaji Number: J659.659B
• Wikidata: Q82239044
• Mol file: 4039-82-1.mol

Synonyms:Benzyl propargyl ether;4039-82-1;((Prop-2-yn-1-yloxy)methyl)benzene;prop-2-ynoxymethylbenzene;benzylpropargyl ether;Propargyl Benzyl Ether;1-benzyloxy-2-propyne;Benzene, [(2-propynyloxy)methyl]-;[(prop-2-yn-1-yloxy)methyl]benzene;((prop-2-ynyloxy)methyl)benzene;CMLDBU00003569;MFCD00483987;[(prop-2-ynyloxy)methyl]benzene;propargylbenzyl ether;benzyloxy prop-2-yne;3-benzyloxy-1-propyne;Prop-2-ynyloxymethyl-benzene;SCHEMBL470893;BENZYL 2-PROPYNYL ETHER;DTXSID50426059;PAQVEXAFKDWGOT-UHFFFAOYSA-N;AKOS025295297;CS-W016355;AS-57669;SY025593;FT-0690527;EN300-108535;H11649

Chemical Property of Benzyl propargyl ether

Chemical Property:

• Vapor Pressure: 0.14mmHg at 25°C
• Refractive Index: 1.519-1.521
• Boiling Point: 223.9°Cat760mmHg
• Flash Point: 82.1°C
• PSA: 9.23000
• Density: 1.005g/cm³
• LogP: 1.83640
• Storage Temp.: 2-8°C
• Solubility.: Soluble in chloroform.
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 146.073164938
• Heavy Atom Count: 11
• Complexity: 136

Purity/Quality:

98%Min ^*data from raw suppliers

Propargyl Benzyl Ether ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOCC1=CC=CC=C1
• Uses: Benzyl propargyl ether is a propargyl derivative used in the synthesis of substituted carbocyclic aromatic compounds and pharmaceutical compounds. Benzyl propargyl ether is used in the synthesis of substituted carbocyclic aromatic compounds and pharmaceutical compounds.

Technology Process of Benzyl propargyl ether

There total 22 articles about Benzyl propargyl ether 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: 100.0%

benzyl bromide (100-39-0) + propargyl alcohol (107-19-7) → Benzyl propargyl ether (4039-82-1)

Guidance literature:

propargyl alcohol; With sodium hydride; In N,N-dimethyl-formamide; mineral oil; at 0 ℃;

benzyl bromide; In N,N-dimethyl-formamide; mineral oil; at 20 ℃;

DOI:10.1021/jo901360e

Reference yield: 96.0%

propargyl bromide (106-96-7) + benzyl alcohol (100-51-6,185532-71-2) → Benzyl propargyl ether (4039-82-1)

Guidance literature:

With potassium hydroxide; In dimethyl sulfoxide; at 23 ℃; for 1h;

DOI:10.1021/ja00050a012

Reference yield: 96.0%

benzyl allyl ether (14593-43-2) → Benzyl propargyl ether (4039-82-1)

Guidance literature:

benzyl allyl ether; With pyridinium perbromide hydrobromide; In acetonitrile; at 20 ℃; for 12h; Molecular sieve; Inert atmosphere;

With tetra(n-butyl)ammonium hydroxide; dimethyl sulfoxide; triethylamine; In water; acetonitrile; at 0 - 60 ℃; for 2h; Reagent/catalyst; Molecular sieve; Inert atmosphere;

DOI:10.1055/s-0034-1380499

upstream raw materials:

benzyl chloride

propargyl alcohol

propargyl bromide

benzyl alcohol

Downstream raw materials:

1-diethylamino-4-benzyloxy-2-butyne

2-<3-(benzyloxy)-1-propynyl>-5-phenyl-1,4-benzoquinone

(2E,4E)-1,6-bis(benzyloxy)hexa-2,4-diene

(((3-bromoprop-2-yn-1-yl)oxy)methyl)benzene

Refernces

• 1、 Alderwick, Luke J.,Armstrong, Tom,Lamont, Malcolm,Lanne, Alice,Thomas, Neil R.. "Inhibition of Mycobacterium tuberculosis InhA: Design, synthesis and evaluation of new di-triclosan derivatives". supporting information. . Retrieved 2020/09/18.
• 2、 Chandankar, Somnath S.,Raghavan, Sadagopan. "Stereoselective Synthesis of Dysoxylactam A". supporting information. p. 653 - 655. Retrieved 2020/01/31.