(e)-2-(Hydroxymethylene)cycloheptan-1-one

Base Information

• Chemical Name: (e)-2-(Hydroxymethylene)cycloheptan-1-one
• CAS No.: 934-20-3
• Molecular Formula: C8H12O2
• Molecular Weight: 140.182
• NSC Number: 17046
• DSSTox Substance ID: DTXSID10417842
• Wikidata: Q82228053
• Mol file: 934-20-3.mol

Synonyms:NSC17046;934-20-3;SCHEMBL2945718;DTXSID10417842;NSC-17046;(e)-2-(hydroxymethylene)cycloheptan-1-one

Chemical Property of (e)-2-(Hydroxymethylene)cycloheptan-1-one

Chemical Property:

• Vapor Pressure: 0.00219mmHg at 25°C
• Boiling Point: 257.2°Cat760mmHg
• Flash Point: 106.5°C
• Density: 1.178g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 140.083729621
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=CO)C(=O)CC1
• Isomeric SMILES: C1CC/C(=C\O)/C(=O)CC1

Technology Process of (e)-2-(Hydroxymethylene)cycloheptan-1-one

There total 5 articles about (e)-2-(Hydroxymethylene)cycloheptan-1-one 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: 97.0%

formic acid ethyl ester (109-94-4) + cycloheptanone (502-42-1) → (2Z)-2-(hydroxymethylene)cycloheptanone (934-20-3)

Guidance literature:

formic acid ethyl ester; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃;

cycloheptanone; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1515/znb-2009-0616

Reference yield: 94.0%

formic acid ethyl ester (109-94-4) + cycloheptanone (502-42-1) → 2-(hydroxymethylene)cycloheptanone (934-20-3)

Guidance literature:

With sodium methylate; In diethyl ether; at 20 ℃; for 18h;

DOI:10.1021/ml3000403

Reference yield:

ethanol (64-17-5) + cycloheptanone (502-42-1) → (2Z)-2-(hydroxymethylene)cycloheptanone (934-20-3)

Guidance literature:

With sodium hydride; formic acid ethyl ester; In diethyl ether; mineral oil; at 0 - 20 ℃; for 5.66667h;

upstream raw materials:

formic acid ethyl ester

cycloheptanone

4-(1-cyclohepten-1-yl)morpholine

N,N-dimethyl-formamide

Downstream raw materials:

2-[(2-phenylhydrazino)methylidene]cycloheptanone

C₂₅H₂₉N₃O₄S

C₂₄H₂₆ClN₃O₂

(Z)-3-(3,4-pentano-2-furyl)-2-phenylacrylnitrile