2,2-Dimethylchromane-6-carbaldehyde

Base Information

• Chemical Name: 2,2-Dimethylchromane-6-carbaldehyde
• CAS No.: 61370-75-0
• Molecular Formula: C12H14 O2
• Molecular Weight: 190.242
• Hs Code.: 2932999099
• European Community (EC) Number: 845-567-2
• DSSTox Substance ID: DTXSID30365174
• Nikkaji Number: J966.865I
• Wikidata: Q72464896
• Mol file: 61370-75-0.mol

Synonyms:61370-75-0;2,2-dimethylchromane-6-carbaldehyde;2,2-Dimethylchroman-6-carbaldehyde;2,2-Dimethyl-chroman-6-carbaldehyde;2,2-dimethyl-3,4-dihydrochromene-6-carbaldehyde;2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbaldehyde;2,2-dimethyl-3,4-dihydro-2H-chromene-6-carbaldehyde;2,2-DIMETHYLCHROMANE-6-CARBOXALDEHYDE;SCHEMBL670625;2,2-Dimethyl-6-formylchromane;AMY6332;DTXSID30365174;IDUKOSGEQABOGY-UHFFFAOYSA-N;2H-1-Benzopyran-6-carboxaldehyde,3,4-dihydro-2,2-dimethyl-;2,2-dimethyl-6-chromanecarbaldehyde;2,2-Dimethylchromane-2-carbaldehyde;MFCD00052286;STL562146;2,2-dimethyl-6-chromancarboxaldehyde;2,2-dimethylchroman-6-carboxaldehyde;AKOS004115532;PS-4389;SB37938;CS-0100894;FT-0609271;EN300-52419;A898204;J-506824;Z750671102

Chemical Property of 2,2-Dimethylchromane-6-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.00112mmHg at 25°C
• Melting Point: 97-98℃
• Boiling Point: 110-114°C 2mm
• Flash Point: 131.5°C
• PSA: 26.30000
• Density: 1.072±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.60270
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 190.099379685
• Heavy Atom Count: 14
• Complexity: 222

Purity/Quality:

97% ^*data from raw suppliers

2,2-dimethylchromane-6-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2=C(O1)C=CC(=C2)C=O)C

Technology Process of 2,2-Dimethylchromane-6-carbaldehyde

There total 17 articles about 2,2-Dimethylchromane-6-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: 90.0%

4-hydroxy-3-C-prenylbenzaldehyde (54730-30-2) → 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-carboxaldehyde (61370-75-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 2h; Reflux;

DOI:10.1016/j.ejmech.2008.05.032

Reference yield: 83.2%

4-methoxymethoxy-3-(3-methyl-but-2-enyl)-benzaldehyde (74021-58-2) → 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-carboxaldehyde (61370-75-0)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 3h; Reflux;

Reference yield: 69.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran (174894-80-5) → 3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-carboxaldehyde (61370-75-0)

Guidance literature:

6-bromo-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran; With n-butyllithium; In tetrahydrofuran; at -78 ℃; for 0.166667h; Inert atmosphere;

N,N-dimethyl-formamide; In tetrahydrofuran; at -78 ℃; for 1h; Inert atmosphere;

DOI:10.1021/acs.jmedchem.6b01234

upstream raw materials:

2,2-dimethylchroman

N,N-dimethyl-formamide

2,2,6-trimethyl-3,4-dihydro-2H-chromene

4-hydroxy-benzaldehyde

Downstream raw materials:

3-[2,2-dimethyl-3,4-dihydro-(2H)-benzopyran-6-yl]-2E-propenoic acid

(2,2-dimethylchroman-6-yl)methanol

2,2-dimethylchroman-6-carboxylic acid

6-formyl-2,2-dimethyl-2H-chromene