1-Methoxycycloheptene

Base Information

• Chemical Name: 1-Methoxycycloheptene
• CAS No.: 50438-50-1
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• Hs Code.: 2909209000
• DSSTox Substance ID: DTXSID00452429
• Nikkaji Number: J675.092C,J741.674A
• Mol file: 50438-50-1.mol

Synonyms:1-methoxycycloheptene;50438-50-1;methoxycyclo heptene;1-Methoxy-cycloheptene;1-methoxy-1-cycloheptene;SCHEMBL1051198;(E)-1-Methoxy-1-cycloheptene;DTXSID00452429;UJAXECDGHCUIDF-UHFFFAOYSA-N

Chemical Property of 1-Methoxycycloheptene

Chemical Property:

• Vapor Pressure: 0.788mmHg at 25°C
• Refractive Index: 1.456
• Boiling Point: 189.436°C at 760 mmHg
• Flash Point: 60.089°C
• PSA: 9.23000
• Density: 0.891g/cm³
• LogP: 2.48080
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 105

Purity/Quality:

1-METHOXYCYCLOHEPTENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CCCCCC1

Technology Process of 1-Methoxycycloheptene

There total 4 articles about 1-Methoxycycloheptene 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:

(E)-1-iodocyclohept-1-ene (49565-03-9) → Cycloheptene (628-92-2,45509-99-7) + 3-methoxy-1-cycloheptene (31059-39-9,75878-85-2) + bicyclo[3.2.0]hept-6-ene (4927-03-1) + 1-methoxycycloheptene (50438-50-1)

Guidance literature:

In methanol; for 10h; Further byproducts given; Irradiation;

DOI:10.1021/ja00361a028

Reference yield:

methanol (67-56-1) + (E)-1-iodocyclohept-1-ene (49565-03-9) → Cycloheptene (628-92-2,45509-99-7) + 3-methoxy-1-cycloheptene (31059-39-9,75878-85-2) + bicyclo[3.2.0]hept-6-ene (4927-03-1) + 1-methoxycycloheptene (50438-50-1)

Guidance literature:

for 10h; Further byproducts given; Irradiation;

DOI:10.1021/ja00361a028

Reference yield:

1-Methoxy-norcaran (34737-44-5) → 1,1-dimethoxy-2-methylcyclohexane (38574-09-3) + 1,1-dimethoxycycloheptane (25632-02-4) + 1-methoxycycloheptene (50438-50-1)

Guidance literature:

With (1,1'-biphenyl)-4,4'-dicarbonitrile; In methanol; Irradiation;

DOI:10.1021/jo00258a044

upstream raw materials:

methanol

(E)-1-iodocyclohept-1-ene

1-Methoxy-norcaran

Downstream raw materials:

1-Methoxy-8-phenylsulfanyl-bicyclo[5.1.0]octane

1-[(1-methoxycycloheptyl)peroxy]cyclohexyl hydroperoxide

1-(1-hydroperoxy-4-methylcyclohexylperoxy)-1-methoxycycloheptane

8,9,17,18,26,27-hexaoxatrispiro[6.2.6¹⁰.2.6¹⁹.2⁷]heptacosane