4-Methyl-3-(trifluoromethyl)benzaldehyde

Base Information

• Chemical Name: 4-Methyl-3-(trifluoromethyl)benzaldehyde
• CAS No.: 93249-45-7
• Molecular Formula: C9H7F3O
• Molecular Weight: 188.14600
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40394899
• Mol file: 93249-45-7.mol

Synonyms:4-Methyl-3-(trifluoromethyl)benzaldehyde;93249-45-7;SCHEMBL1769710;DTXSID40394899;FRLOLHJJROPPKU-UHFFFAOYSA-N;IANWHSGVDSUHSX-UHFFFAOYSA-N;MFCD04116033;AKOS015956847;JS-4386;CS-0236749;D96248;EN300-1725339;A904469;4-Methyl-3-(trifluoromethyl)benzaldehyde, AldrichCPR;Z1255379662

Chemical Property of 4-Methyl-3-(trifluoromethyl)benzaldehyde

Chemical Property:

• Boiling Point: 198.5±35.0 °C(Predicted)
• PSA: 17.07000
• Density: 1.246±0.06 g/cm3(Predicted)
• LogP: 2.82630
• Sensitive.: Air Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.04489933
• Heavy Atom Count: 13
• Complexity: 188

Purity/Quality:

98% ^*data from raw suppliers

4-Methyl-3-(trifluoromethyl)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36-43
• Safety Statements: 26-36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C=O)C(F)(F)F
• Uses: 4-Methyl-3-(trifluoromethyl)benzaldehyde is used as a building block in synthetic chemistry.

Technology Process of 4-Methyl-3-(trifluoromethyl)benzaldehyde

There total 3 articles about 4-Methyl-3-(trifluoromethyl)benzaldehyde 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:

N-methoxy-N,4-dimethyl-3-(trifluoromethyl)benzamide (1173793-77-5) → 4-methyl-3-(trifluoromethyl)benzaldehyde (93249-45-7)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 3h;

DOI:10.1016/j.bmcl.2016.01.068

Reference yield:

4-methyl-3-(trifluoromethyl)benzoic acid (261952-01-6) → 4-methyl-3-(trifluoromethyl)benzaldehyde (93249-45-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; benzotriazol-1-ol / dichloromethane / 6 h / 20 °C

2: lithium aluminium tetrahydride / tetrahydrofuran / 3 h / 0 °C

With 4-methyl-morpholine; lithium aluminium tetrahydride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; dichloromethane;

DOI:10.1016/j.bmcl.2016.01.068

Reference yield:

→ 4-methyl-3-(trifluoromethyl)benzaldehyde (93249-45-7)

Guidance literature:

upstream raw materials:

4-methyl-3-(trifluoromethyl)benzoic acid

N-methoxy-N,4-dimethyl-3-(trifluoromethyl)benzamide

Downstream raw materials:

6-methoxy-4-(2-(4-(4-methyl-3-(trifluoromethyl)benzylamino)piperidin-1-yl)ethyl)quinoline-3-carbonitrile

4-(4-methyl-3-trifluoromethyl-benzylamino)-piperidine-1-carboxylic acid tert-butyl ester

6-(4-methyl-3-(trifluoromethyl))phenyl-pyridazin-3(2H)-one

6-(4-methyl-3-(trifluoromethyl))phenyl-4,5-dihydro-pyridazin-3(2H)-one

Refernces

• 1、 -. "Process for preparing aromatic aldehydes". . . Retrieved 2008/06/13.