Cedramber

Base Information

• Chemical Name: Cedramber
• CAS No.: 67874-81-1
• Deprecated CAS: 2258643-24-0
• Molecular Formula: C16H28 O
• Molecular Weight: 236.398
• European Community (EC) Number: 267-510-5,243-384-7
• UNII: 84S7T555CV
• DSSTox Substance ID: DTXSID90886996
• Nikkaji Number: J78.421D
• Wikidata: Q27269547
• Mol file: 67874-81-1.mol

Synonyms:Cedramber;Cedryl methyl ether;Methyl cedryl ether;Cedrol methyl ether;67874-81-1;19870-74-7;84S7T555CV;1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6R,7R,8aS)-;Cedrane 8-methoxy-(8CI);EINECS 267-510-5;Methyl cedryl ether, >96%;UNII-84S7T555CV;SCHEMBL14841540;DTXSID90886996;1h-3a,7-metanoazuleno, octahidro-6-metoxi-3,6,8,8-tetrametil-, (3r,3as,6s,7r,8as)-;1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R,3aS,6S,7R,8aS)-;(3R - (3a,3ab,6b,7b,8aa)) - octahydro - 6 - methoxy - 3,6,8,8 - tetramethyl - 1H - 3a,7 - methanoazulene;(3R-(3alpha,3abeta,6alpha,7beta,8aalpha))-Octahydro-6-methoxy-3,6,8,8-tetramethyl-1H-3a,7-methanoazulene;1H-3A,7-METHANOAZULENE, OCTAHYDRO-6-METHOXY-3,6,8,8-TETRAMETHYL-, (3R-(3.ALPHA.,3A.BETA.,6.ALPHA.,7.BETA.,8A.ALPHA.))-;1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, (3R-(3alpha,3abeta,6beta,7beta,8aalpha))-;1H-3a,7-Methanoazulene, octahydro-6-methoxy-3,6,8,8-tetramethyl-, [3R-(3.alpha.,3a.beta.,6.beta.,7.beta.,8a.alpha.)]-;MFCD29916858;Q27269547;(3R,3AS,6R,7R,8AS)-OCTAHYDRO-6-METHOXY-3,6,8,8-TETRAMETHYL-1H-3A,7-METHANOAZULENE

Chemical Property of Cedramber

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: 1.496
• Boiling Point: 268.3 °C at 760 mmHg
• Flash Point: 110.3 °C
• PSA: 9.23000
• Density: 0.96 g/cm³
• LogP: 4.26390
• Water Solubility.: 4.3mg/L at 24℃
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 236.214015512
• Heavy Atom Count: 17
• Complexity: 334

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2C13CCC(C(C3)C2(C)C)(C)OC
• Isomeric SMILES: C[C@@H]1CC[C@@H]2[C@]13CC[C@@]([C@H](C3)C2(C)C)(C)OC

Technology Process of Cedramber

There total 3 articles about Cedramber 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: 96.3%

methylene chloride (74-87-3) + (+)-cedrol (77-53-2) → methyl cedryl ether (67874-81-1)

Guidance literature:

(+)-cedrol; With potassium tert-butylate; In toluene; tert-butyl alcohol; at 85 - 110 ℃; Green chemistry;

methylene chloride; In tert-butyl methyl ether; at 60 ℃; under 1875.19 Torr; Reagent/catalyst; Temperature; Pressure; Autoclave; Green chemistry;

Reference yield:

→ 6-Methoxy-3,6,8,8-tetramethyl-octahydro-3a,7-methano-azulene (19870-74-7,67874-81-1)

Guidance literature:

entspr. Hydroxy-Cedrol-Derivat, NaH, DMS;

Reference yield:

→ methyl cedryl ether (67874-81-1)

Guidance literature:

Cedrol, Methylsulfinylcarbanion, Dimethylsulfat;

upstream raw materials:

methylene chloride

(+)-cedrol

Refernces