(E)-1,2-Dimethoxy-3-(2-nitrovinyl)benzene

Base Information

• Chemical Name: (E)-1,2-Dimethoxy-3-(2-nitrovinyl)benzene
• CAS No.: 37630-20-9
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• Hs Code.: 2909309090
• European Community (EC) Number: 621-793-5
• NSC Number: 184401,93685
• Nikkaji Number: J445.188K,J996.321I
• Wikidata: Q76305929
• Mol file: 37630-20-9.mol

Synonyms:37630-20-9;(E)-1,2-Dimethoxy-3-(2-nitrovinyl)benzene;2815-67-0;1,2-Dimethoxy-3-(2-nitrovinyl)benzene;1,2-dimethoxy-3-[(E)-2-nitroethenyl]benzene;TRANS-2 3-DIMETHOXY-beta-NITROSTYRENE;2,3-Dimethoxy-w-nitrostyrene;NSC93685;SCHEMBL1011167;2,3-dimethoxy-beta-nitrostyrene;beta-Nitro-2,3-dimethoxystyrene;HMS562G22;Styrene,3-dimethoxy-.beta.-nitro-;ANM100769;CCG-45139;MFCD00068082;NSC-93685;NSC184401;AKOS000277008;AKOS015913625;trans-2,3-Dimethoxy-beta-nitrostyrene;MS-9820;NSC-184401;CID 5380390;trans-2,3-Dimethoxy- beta -nitrostyrene;Benzene,1,2-dimethoxy-3-(2-nitroethenyl)-;CS-0246042;trans-2,3-Dimethoxy-beta-nitrostyrene, 97%;2,3-Dimethoxy-1-[(E)-2-nitroethenyl]benzene;EN300-315530;1,2-dimethoxy-3-[(1e)-2-nitroethenyl]benzene;EN300-1865309;CID 5380390, >=98% (HPLC);SR-01000634925;SR-01000634925-1;SR-01000634925-2

Chemical Property of (E)-1,2-Dimethoxy-3-(2-nitrovinyl)benzene

Chemical Property:

• Appearance/Colour: UN 3077 9/PG 3
• Vapor Pressure: 0.000366mmHg at 25°C
• Melting Point: 80-84 °C(lit.)
• Refractive Index: 1.564
• Boiling Point: 328.3 °C at 760 mmHg
• Flash Point: 148.2 °C
• PSA: 64.28000
• Density: 1.197 g/cm³
• LogP: 2.47440
• Storage Temp.: room temp
• Solubility.: DMSO: soluble15mg/mL (clear solution)
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 236

Purity/Quality:

98%,99%, ^*data from raw suppliers

CID 5380390 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; N
• Hazard Codes: Xi,N
• Statements: 36-50/53
• Safety Statements: 26-36-60-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=CC(=C1OC)C=C[N+](=O)[O-]
• Isomeric SMILES: COC1=CC=CC(=C1OC)/C=C/[N+](=O)[O-]

Technology Process of (E)-1,2-Dimethoxy-3-(2-nitrovinyl)benzene

There total 2 articles about (E)-1,2-Dimethoxy-3-(2-nitrovinyl)benzene 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%

nitromethane (75-52-5) + 2,3-dimethyoxybenzaldehyde (86-51-1) → 1,2-Dimethoxy-3-((E)-2-nitro-vinyl)-benzene (37630-20-9)

Guidance literature:

With ammonium acetate; acetic acid; at 22 ℃; for 3h; ultrasound;

DOI:10.1016/S0040-4039(98)01789-4

Reference yield:

nitromethane (75-52-5) + ammonium acetate (631-61-8,92206-38-7) + 2,3-dimethyoxybenzaldehyde (86-51-1) → 1,2-Dimethoxy-3-((E)-2-nitro-vinyl)-benzene (37630-20-9)

Guidance literature:

With acetic acid;

DOI:10.1021/jo01129a001

Reference yield: 94.0%

1,2-Dimethoxy-3-((E)-2-nitro-vinyl)-benzene (37630-20-9) → 2-(2,3-dimethoxyphenyl)-1-nitroethane (14255-59-5)

Guidance literature:

With sodium tetrahydroborate; silica gel; In chloroform; isopropyl alcohol; at 25 ℃; for 0.5h;

DOI:10.1016/S0040-4039(00)81371-4

upstream raw materials:

nitromethane

ammonium acetate

2,3-dimethyoxybenzaldehyde

Downstream raw materials:

1,2-dimethoxy-3-(1-methoxy-2-nitro-ethyl)-benzene

2,3-dimethoxyphenethylamine

2-(2,3-dimethoxyphenyl)-1-nitroethane

1,2-dimethoxy-3-(6-nitro-cyclohex-3-enyl)-benzene

Refernces

• 1、 McNulty, James,Steere, Jennifer A.,Wolf, Sonja. "The ultrasound promoted Knoevenagel condensation of aromatic aldehydes". . p. 8013 - 8016. Retrieved 2007/10/03.
• 2、 Kubo, Akinori,Saito, Naoki,Kawakami, Nanko,Matsuyama, Yasuo,Miwa, Teruyo. "A Facile Sythesis of 1,2,3,4-Tetrahydroisoquinolines Through Cyclization of O,N-Acetals". . p. 824 - 827. Retrieved 2007/10/02.