5-Isopropyl-3,8-dimethylazulene-1-carbaldehyde

Base Information

• Chemical Name: 5-Isopropyl-3,8-dimethylazulene-1-carbaldehyde
• CAS No.: 3331-47-3
• Molecular Formula: C16H18 O
• Molecular Weight: 226.318
• Hs Code.: 2912299000
• European Community (EC) Number: 808-123-9
• DSSTox Substance ID: DTXSID00348676
• Nikkaji Number: J426.423A
• Mol file: 3331-47-3.mol

Synonyms:3331-47-3;5-isopropyl-3,8-dimethylazulene-1-carbaldehyde;3,8-dimethyl-5-propan-2-ylazulene-1-carbaldehyde;7-Isopropyl-1,4-dimethylazulene-3-carboxaldehyde;3,8-dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde;5-isopropyl-3,8-dimethylazulene-1-carboxaldehyde;3-Formylguajazulen;1-Azulenecarboxaldehyde,3,8-dimethyl-5-(1-methylethyl)-;SCHEMBL1101926;DTXSID00348676;MFCD00275723;AKOS001086756;AS-69894;CS-0308240;FT-0634783;I0928;EN300-11216;3,8-Dimethyl-5-isopropylazulene-1-carbaldehyde;T72317;A821721;Z57040480;1-azulenecarboxaldehyde, 3,8-dimethyl-5-(1-methylethyl)-

Chemical Property of 5-Isopropyl-3,8-dimethylazulene-1-carbaldehyde

Chemical Property:

• Vapor Pressure: 1.71E-05mmHg at 25°C
• Melting Point: 83°C(lit.)
• Refractive Index: 1.601
• Boiling Point: 364.2°Cat760mmHg
• Flash Point: 180.2°C
• PSA: 17.07000
• Density: 1.038g/cm³
• LogP: 4.34410
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.135765193
• Heavy Atom Count: 17
• Complexity: 271

Purity/Quality:

97% ^*data from raw suppliers

3,8-Dimethyl-5-(propan-2-yl)azulene-1-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C=O

Technology Process of 5-Isopropyl-3,8-dimethylazulene-1-carbaldehyde

There total 19 articles about 5-Isopropyl-3,8-dimethylazulene-1-carbaldehyde 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: 98.0%

N-[(5-isopropyl-3,8-dimethylazulen-1-yl)methylene]-N-methylmethanaminium tetrafluoroborate → 5-isopropyl-3,8-dimethylazulene-1-carbaldehyde (3331-47-3)

Guidance literature:

With sodium hydroxide; In methanol; water; pH=Ca. 8 - 9;

DOI:10.1515/znb-2016-0009

Reference yield: 95.0%

7-isopropyl-1,4-dimethyl-azulene (489-84-9) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 5-isopropyl-3,8-dimethylazulene-1-carbaldehyde (3331-47-3)

Guidance literature:

7-isopropyl-1,4-dimethyl-azulene; N,N-dimethyl-formamide; With trichlorophosphate; at 0 ℃; for 1h;

With potassium hydroxide; water;

DOI:10.1246/bcsj.81.1472

Reference yield: 47.0%

7-isopropyl-1,3,4-trimethylazulene (73526-78-0) → 5-isopropyl-3,8-dimethylazulene-1-carbaldehyde (3331-47-3) + 7-isopropyl-3,4-dimethylazulene-1-carbaldehyde

Guidance literature:

With manganese(IV) oxide; In dichloromethane; for 0.166667h; Ambient temperature;

DOI:10.1002/hlca.19950780603

upstream raw materials:

7-isopropyl-1,4-dimethyl-azulene

N,N-dimethyl-formamide

N-methyl-N-phenylformamide

1-(3-guaiazulenyl)-6a-isopropyl-2,5-dimethyl-1,1a,3,6a-tetrahydrocyclopropainden-3-one

Downstream raw materials:

N--cyclohexylamin

N--benzylamin

methyl 4-<2-<1-<3,8-dimethyl-5-(1-methylethyl)azulenyl>>ethenyl>benzoate

7-isopropyl-1,4-dimethyl-3-<(E)-2-phenylethenyl>azulene