Cycloheptanecarbaldehyde

Base Information

• Chemical Name: Cycloheptanecarbaldehyde
• CAS No.: 4277-29-6
• Molecular Formula: C8H14O
• Molecular Weight: 126.199
• Hs Code.: 2912299000
• European Community (EC) Number: 224-279-5
• DSSTox Substance ID: DTXSID90195419
• Nikkaji Number: J80.786I
• Wikidata: Q83068344
• ChEMBL ID: CHEMBL277996
• Mol file: 4277-29-6.mol

Synonyms:cycloheptanecarbaldehyde;4277-29-6;Formylcycloheptane;cycloheptanecarboxaldehyde;CHEMBL277996;EINECS 224-279-5;Cycloheptanecarboxal?dehyde;Aldehydes, 6;cycloheptancarbaldehyd;SCHEMBL95620;DTXSID90195419;AMY21681;Cycloheptanecarbaldehyde, AldrichCPR;BDBM50028812;MFCD03412495;AKOS012322189;AT13628;BS-13128;CS-0144556;FT-0693169;EN300-91418;A826005;A1-31725;Z1079442748

Chemical Property of Cycloheptanecarbaldehyde

Chemical Property:

• Vapor Pressure: 0.748mmHg at 25°C
• Refractive Index: 1.506
• Boiling Point: 184 °C at 760 mmHg
• Flash Point: 58.7 °C
• PSA: 17.07000
• Density: 0.965g/cm³
• LogP: 2.15570
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 126.104465066
• Heavy Atom Count: 9
• Complexity: 80.6

Purity/Quality:

99% ^*data from raw suppliers

cycloheptanecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

Useful:

• Canonical SMILES: C1CCCC(CC1)C=O

Technology Process of Cycloheptanecarbaldehyde

There total 41 articles about Cycloheptanecarbaldehyde 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: 93.0%

cycloheptylmethanol (4448-75-3) → cycloheptanecarboxaldehyde (4277-29-6)

Guidance literature:

With pyridinium chlorochromate; In dichloromethane; for 16h;

Reference yield: 92.0%

4-cycloheptenecarboxaldehyde (2401-88-9) → cycloheptanecarboxaldehyde (4277-29-6)

Guidance literature:

With hydrogen; acetic acid; Pd-BaSO₄; In ethanol; at 20 ℃; under 760 Torr;

Reference yield: 88.0%

Cyclohept-1-oxiran-2-ylmethyltrimethylsilane (86554-01-0) → cycloheptanecarboxaldehyde (4277-29-6)

Guidance literature:

With formic acid; at 20 ℃; for 1h;

DOI:10.1016/S0040-4020(01)88585-9

upstream raw materials:

1-(hydroxymethyl)cycloheptanol

1-oxa-spiro[2.6]nonane-2-carboxylic acid ethyl ester

cis-Cyclooctene

1,3,6-Cycloheptatrien-1-carbaldehyd

Downstream raw materials:

cycloheptyl formate

cycloheptylmethanol

C₁₆H₂₁Cl₃O₃S

spiro[5.6]dodec-1-en-3-one

Refernces

• 1、 Bull, James A.,St John-Campbell, Sahra,White, Andrew J. P.. "Methylene C(sp3)-H β,β′-Diarylation of Cyclohexanecarbaldehydes Promoted by a Transient Directing Group and Pyridone Ligand". supporting information. . Retrieved 2020/03/10.
• 2、 -. "AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS". Paragraph 1895; 1897. . Retrieved 2016/08/07.