1-(Dimethoxymethyl)-2-nitrobenzene

Base Information

• Chemical Name: 1-(Dimethoxymethyl)-2-nitrobenzene
• CAS No.: 20627-73-0
• Molecular Formula: C9H11NO4
• Molecular Weight: 197.191
• Hs Code.: 2909309090
• European Community (EC) Number: 423-830-9,606-589-6
• DSSTox Substance ID: DTXSID90864951
• Nikkaji Number: J406.165I
• Mol file: 20627-73-0.mol

Synonyms:1-(Dimethoxymethyl)-2-nitrobenzene;20627-73-0;Benzene, 1-(dimethoxymethyl)-2-nitro-;ORTHO-NITROBENZALDEHYDEDIMETHYLACETAL;92538-96-0;SCHEMBL7383362;2-Nitrobenzaldehyd-dimethylacetal;DTXSID90864951;1-dimethoxymethyl-2-nitro-benzene;2-Nitrobenzaldehyde dimethyl acetal;1-(Dimethoxymethyl)-2-nitrobenzene #;LS-29878

Chemical Property of 1-(Dimethoxymethyl)-2-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.00877mmHg at 25°C
• Melting Point: 24°C (estimate)
• Refractive Index: 1.5310 (estimate)
• Boiling Point: 253.6°Cat760mmHg
• Flash Point: 98.9°C
• PSA: 64.28000
• Density: 1.12g/cm³
• LogP: 2.40940
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 197.06880783
• Heavy Atom Count: 14
• Complexity: 188

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion and inhalation.
• Hazard Codes: Xi,N
• Statements: 43-51/53
• Safety Statements: 24-37-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(C1=CC=CC=C1[N+](=O)[O-])OC

Technology Process of 1-(Dimethoxymethyl)-2-nitrobenzene

There total 10 articles about 1-(Dimethoxymethyl)-2-nitrobenzene 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%

methanol (67-56-1) + 2-nitro-benzaldehyde (552-89-6) → 1-(dimethoxymethyl)-2-nitrobenzene (20627-73-0)

Guidance literature:

With methanesulfonic acid; 3 A molecular sieve; In chloroform; for 24h; Heating;

DOI:10.1055/s-2007-990821

Reference yield: 98.0%

2-nitro-benzaldehyde (552-89-6) + trimethyl orthoformate (149-73-5) → 1-(dimethoxymethyl)-2-nitrobenzene (20627-73-0)

Guidance literature:

With pyridinium p-toluenesulfonate; In methanol; at 80 ℃; for 19h; Inert atmosphere;

DOI:10.1021/ol303519y

Reference yield: 97.0%

methanol (67-56-1) + 2-nitro-benzaldehyde (552-89-6) + trimethyl orthoformate (149-73-5) → 1-(dimethoxymethyl)-2-nitrobenzene (20627-73-0)

Guidance literature:

With povidone-iodine; at 30 ℃; for 3h; Green chemistry;

DOI:10.1016/j.tet.2021.132250

upstream raw materials:

1-(dichloromethyl)-2-nitrobenzene

sodium methylate

dimethyl sulfate

2-nitro-benzaldehyde

Downstream raw materials:

2-phenyl-1,2-dihydro-3H-indazol-3-one

2-(2-nitrophenyl)-1,3-dioxolane

2-(2-nitrophenyl)-1,3-dioxane

methanol

Refernces

• 1、 Cao, Fu-Rong,Lu, Guangying,Ren, Jiangmeng,Wang, Di,Zeng, Bu-Bing. "Practical acetalization and transacetalization of carbonyl compounds catalyzed by recyclable PVP-I". . . Retrieved 2021/06/21.
• 2、 -. "Preparation method of acetal or ketal compound". Paragraph 0040-0048. . Retrieved 2020/04/22.