1-(NITROMETHYL)CYCLOHEX-1-ENE

Base Information

• Chemical Name: 1-(NITROMETHYL)CYCLOHEX-1-ENE
• CAS No.: 5330-61-0
• Molecular Formula: C7H11NO2
• Molecular Weight: 141.17
• Hs Code.: 2904209090
• Mol file: 5330-61-0.mol

Synonyms:1-(Nitromethyl)cyclohex-1-ene;

Chemical Property of 1-(NITROMETHYL)CYCLOHEX-1-ENE

Chemical Property:

• Vapor Pressure: 0.242mmHg at 25°C
• Refractive Index: 1.489
• Boiling Point: 206 °C at 760 mmHg
• PKA: 9.27±0.20(Predicted)
• Flash Point: 78.5 °C
• PSA: 45.82000
• Density: 1.072 g/cm³
• LogP: 2.28670

Purity/Quality:

99% ^*data from raw suppliers

1-(Nitromethyl)cyclohex-1-ene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(NITROMETHYL)CYCLOHEX-1-ENE

There total 9 articles about 1-(NITROMETHYL)CYCLOHEX-1-ENE 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: 92.0%

nitromethane (75-52-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → 1-nitromethyl-cyclohexene (5330-61-0)

Guidance literature:

With ethylenediamine; at 110 ℃; for 10h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b02458

Reference yield: 90.0%

1-(nitromethyl)cyclohexyl acetate (3164-74-7) → 1-nitromethyl-cyclohexene (5330-61-0)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 8h;

DOI:10.1080/00397919608003835

Reference yield:

1-nitromethylcyclohexanol (3164-73-6) → 1-nitromethyl-cyclohexene (5330-61-0)

Guidance literature:

With pyridine; thionyl chloride; starke Kuehlung;

DOI:10.1039/jr9340000604

upstream raw materials:

1-nitromethylcyclohexanol

nitromethane

cyclohexanone

4-cyclohexen-1-ylmorpholine

Downstream raw materials:

3-benzyl-5-cyclohex-1-enyl-5-nitro-[1,3]oxazinane

dimethyl 2-(cyclohex-1-en-1-yl)cyclopropane-1,1-dicarboxylate

(1-cyclohexen-1-ylmethyl)dipropylamine

dimethyl 2-(1-cyclohexen-1-ylmethyl)-1,3-propanedioate

Refernces

• 1、 -. "Synthetic method for 3-acetoxy-2-cyclohexenyl-1-one and derivatives thereof". Paragraph 0019-0022. . Retrieved 2019/10/01.
• 2、 Xu, Hai,He, Jia,Shi, Jiarong,Tan, Liang,Qiu, Dachuan,Luo, Xiaohua,Li, Yang. "Domino Aryne Annulation via a Nucleophilic-Ene Process". supporting information. p. 3555 - 3559. Retrieved 2018/03/21.