Benzene, (2,2-dimethoxyethoxy)-

Base Information

• Chemical Name: Benzene, (2,2-dimethoxyethoxy)-
• CAS No.: 67874-68-4
• Molecular Formula: C10H14 O3
• Molecular Weight: 182.219
• European Community (EC) Number: 267-496-0,275-699-0
• DSSTox Substance ID: DTXSID4070744
• Nikkaji Number: J287.581K
• Wikidata: Q81998136
• Mol file: 67874-68-4.mol

Synonyms:67874-68-4;Phenoxyacetaldehyde dimethyl acetal;(2,2-Dimethoxyethoxy)benzene;Benzene, (2,2-dimethoxyethoxy)-;(Dimethoxymethyl)anisole;2,2-dimethoxyethoxybenzene;PHENOXYACETALDEHYDEDIMETHYLACETAL;EINECS 267-496-0;71617-08-8;Benzene,(2,2-dimethoxyethoxy)-;dimethoxyethoxybenzene;SCHEMBL7089376;DTXSID4070744;EINECS 275-699-0;MFCD00134413;ZB1130;AKOS009158937;SB38276;Phenoxyacetaldehyde dimethyl acetal, 99%;CS-0342908;FT-0641149;A1-01064

Chemical Property of Benzene, (2,2-dimethoxyethoxy)-

Chemical Property:

• Vapor Pressure: 0.0119mmHg at 25°C
• Refractive Index: n20/D 1.498(lit.)
• Boiling Point: 269.6°Cat760mmHg
• Flash Point: 83.8°C
• PSA: 27.69000
• Density: 1.035g/cm³
• LogP: 1.68430
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 182.094294304
• Heavy Atom Count: 13
• Complexity: 117

Purity/Quality:

99.9% ^*data from raw suppliers

Phenoxyacetaldehyde dimethyl acetal 99% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC(COC1=CC=CC=C1)OC
• Uses: Phenoxyacetaldehyde dimethyl acetal may be used in chemical synthesis.

Technology Process of Benzene, (2,2-dimethoxyethoxy)-

There total 4 articles about Benzene, (2,2-dimethoxyethoxy)- 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: 68.0%

1-bromo-2,2-dimethoxyethane (7252-83-7) + phenol (108-95-2,27073-41-2) → 2-phenoxyacetaldehyde dimethyl acetal (67874-68-4)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide; at 20 - 60 ℃; for 7.5h;

DOI:10.1246/bcsj.72.2307

Reference yield: 63.0%

methanol (67-56-1) + allyl phenyl ether (1746-13-0) → methyl 2-phenoxyacetate (2065-23-8) + 2-phenoxyacetaldehyde dimethyl acetal (67874-68-4)

Guidance literature:

methanol; allyl phenyl ether; With oxygen; ozone; at -78 ℃;

With semicarbazide hydrochloride; at -50 - 20 ℃; for 24h;

DOI:10.1134/S0012500815050079

Reference yield: 45.0%

trimethyl orthoformate (149-73-5) + 2-phenoxyethanal (2120-70-9) → 2-phenoxyacetaldehyde dimethyl acetal (67874-68-4)

Guidance literature:

With toluene-4-sulfonic acid; In methanol; at 50 ℃;

DOI:10.1007/BF00807397

upstream raw materials:

trimethyl orthoformate

2-phenoxyethanal

1-bromo-2,2-dimethoxyethane

phenol

Downstream raw materials:

2-methoxy-3-phenoxypropanenitrile

2-phenoxyethanal

ethyl (E)-4-phenoxy-2-isocyano-3-butenoate

2-methoxy-3-phenoxy-1-propanamine