2-(2-Nitroprop-1-enyl)thiophene

Base Information

• Chemical Name: 2-(2-Nitroprop-1-enyl)thiophene
• CAS No.: 6937-35-5
• Molecular Formula: C7H7 N O2 S
• Molecular Weight: 169.204
• Hs Code.: 2934999090
• NSC Number: 42524
• Nikkaji Number: J3.191.114A
• ChEMBL ID: CHEMBL1632544
• Mol file: 6937-35-5.mol

Synonyms:2-(2-nitroprop-1-enyl)thiophene;6937-35-5;2-[(E)-2-nitroprop-1-enyl]thiophene;(E)-2-(2-Nitroprop-1-enyl)thiophene;Thiophene,2-(2-nitro-1-propen-1-yl)-;2-(2-nitroprop-1-en-1-yl)thiophene;NSC42524;2-((1E)-2-nitroprop-1-enyl)thiophene;SCHEMBL3307510;CHEMBL1632544;1-(3'-thienyl)-2-nitropropylene;CCG-50910;MFCD00175171;NSC-42524;2-Nitro-1-(thien-2-yl)prop-1-ene;AKOS010878773;2-[(E)-2-Nitro-1-propenyl]thiophene;EN300-55571;AB-337/25021033;SR-01000640250-1

Chemical Property of 2-(2-Nitroprop-1-enyl)thiophene

Chemical Property:

• Vapor Pressure: 0.00957mmHg at 25°C
• Melting Point: 69°C
• Boiling Point: 273.5°C at 760 mmHg
• Flash Point: 119.2°C
• PSA: 74.06000
• Density: 1.277g/cm³
• LogP: 2.90880
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 169.01974964
• Heavy Atom Count: 11
• Complexity: 185

Purity/Quality:

99%min ^*data from raw suppliers

2-(2-Nitroprop-1-enyl)thiophene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=CS1)[N+](=O)[O-]
• Isomeric SMILES: C/C(=C\C1=CC=CS1)/[N+](=O)[O-]

Technology Process of 2-(2-Nitroprop-1-enyl)thiophene

There total 3 articles about 2-(2-Nitroprop-1-enyl)thiophene 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: 88.0%

thiophene-2-carbaldehyde (98-03-3) + Nitroethane (79-24-3) → 2-(2-nitroprop-1-enyl)thiophene (6937-35-5)

Guidance literature:

With ammonium acetate; at 120 ℃; for 2h;

DOI:10.1039/c9nj02874a

Reference yield: 74.0%

2-Aminomethylthiophene (27757-85-3) + Nitroethane (79-24-3) → 2-(2-nitroprop-1-enyl)thiophene (6937-35-5)

Guidance literature:

With 4-(4-fluorophenyl)naphthalene-1,2-dione; oxygen; at 80 ℃; for 12h;

DOI:10.1021/acscatal.9b03442

Reference yield:

3-thiophene carboxaldehyde (498-62-4) + Nitroethane (79-24-3) → 2-(2-nitroprop-1-enyl)thiophene (6937-35-5)

Guidance literature:

With acetic acid; N-butylamine; at 80 ℃; for 2h;

upstream raw materials:

3-thiophene carboxaldehyde

Nitroethane

thiophene-2-carbaldehyde

2-Aminomethylthiophene

Downstream raw materials:

C₁₈H₁₇NO₂S

1-(2,5-dimethyl-1-phenyl-4-(thiophen-2-yl)-1H-pyrrol-3-yl)ethanone

2-methyl-1-phenyl-3-(thiophen-2-yl)-1,5,6,7-tetrahydro-4H-indol-4-one

2,6,6-trimethyl-1-phenyl-3-(thiophen-2-yl)-1,5,6,7-tetrahydro-4H-indol-4-one

Refernces

• 1、 Kim, Hun Young,Oh, Kyungsoo,Si, Tengda. "Substrate promiscuity of ortho-naphthoquinone catalyst: Catalytic aerobic amine oxidation protocols to deaminative cross-coupling and n-nitrosation". . p. 9216 - 9221. Retrieved 2019/10/08.
• 2、 Shumilova,Korsakov,Dorogov,Shalygina. "Synthesis of sulfonate derivatives of 4-heteryl-isoxazoles". . p. 118 - 122. Retrieved 2014/11/08.