Benzene, 1-methoxy-2-(methoxymethyl)-

Base Information

• Chemical Name: Benzene, 1-methoxy-2-(methoxymethyl)-
• CAS No.: 21998-86-7
• Molecular Formula: C9H12O2
• Molecular Weight: 152.193
• Hs Code.: 2909309090
• NSC Number: 137827
• DSSTox Substance ID: DTXSID30300606
• Nikkaji Number: J110.025D
• Wikidata: Q82043799
• Mol file: 21998-86-7.mol

Synonyms:1-Methoxy-2-(methoxymethyl)benzene;21998-86-7;Benzene, 1-methoxy-2-(methoxymethyl)-;toluene, o,|A-dimethoxy-;NSC137827;2-methoxybenzyl methyl ether;SCHEMBL31048;SCHEMBL2356061;Toluene, o,.alpha.-dimethoxy-;DTXSID30300606;BEGPNVIJJAUGMG-UHFFFAOYSA-N;1-Methoxy-2-(methoxymethyl)benzene #;AKOS000450449;NSC-137827

Chemical Property of Benzene, 1-methoxy-2-(methoxymethyl)-

Chemical Property:

• Vapor Pressure: 0.694mmHg at 25°C
• Boiling Point: 192°Cat760mmHg
• Flash Point: 61.2°C
• PSA: 18.46000
• Density: 0.997g/cm³
• LogP: 1.84160
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 104

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COCC1=CC=CC=C1OC

Technology Process of Benzene, 1-methoxy-2-(methoxymethyl)-

There total 20 articles about Benzene, 1-methoxy-2-(methoxymethyl)- 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) + ortho-anisaldehyde (135-02-4) → 1-methoxy-2-methoxymethylbenzene (21998-86-7)

Guidance literature:

With Decaborane; at 20 ℃; for 6h;

DOI:10.1016/S0040-4039(99)01229-0

Reference yield: 91.0%

2-methoxybenzoic acid methyl ester (606-45-1) → 1-methoxy-2-methoxymethylbenzene (21998-86-7)

Guidance literature:

With aluminium(III) triflate; tris(2,4-pentanedionato)ruthenium(III); hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In deuteromethanol; toluene; at 130 ℃; for 12h; under 30402 Torr; Autoclave;

DOI:10.1002/anie.201500062

Reference yield: 81.0%

2-bromoanisole (578-57-4) + chloromethyl methyl ether (107-30-2) → 1-methoxy-2-methoxymethylbenzene (21998-86-7)

Guidance literature:

2-bromoanisole; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 1h;

chloromethyl methyl ether; In tetrahydrofuran; at -78 - 0 ℃; for 2h;

upstream raw materials:

salicylic alcohol

methyl iodide

methanol

(2-methoxyphenyl)methanol

Downstream raw materials:

o-methoxy-N,O-dimethylhalostachine

o-anisyllithium

C₈H₉KO

C₈H₉CsO