4-(Benzyloxy)-3,5-dimethylbenzaldehyde

Base Information

• Chemical Name: 4-(Benzyloxy)-3,5-dimethylbenzaldehyde
• CAS No.: 144896-51-5
• Molecular Formula: C16H16O2
• Molecular Weight: 240.302
• Hs Code.: 29124990
• European Community (EC) Number: 604-449-9
• DSSTox Substance ID: DTXSID20340319
• Nikkaji Number: J3.025.500C
• Wikidata: Q82109893
• Mol file: 144896-51-5.mol

Synonyms:144896-51-5;4-Benzyloxy-3,5-dimethylbenzaldehyde;4-(Benzyloxy)-3,5-dimethylbenzaldehyde;3,5-dimethyl-4-phenylmethoxybenzaldehyde;MFCD00800683;4-benzyloxy-3,5-dimethyl-benzaldehyde;Benzaldehyde, 3,5-dimethyl-4-(phenylmethoxy)-;3,5-dimethyl-4-(phenylmethoxy)benzaldehyde;SCHEMBL146577;DTXSID20340319;3,5-dimethyl-4-benzyloxybenzaldehyde;3,5-dimethyl-4-benzyloxy benzaldehyde;AKOS005256899;3,5-Dimethyl-4-(benzyloxy)benzaldehyde;4-(benzyloxy)-3,5-dimethyl-benzaldehyde;AS-66823;Benzaldehyde, 4-benzyloxy-3.5-dimethyl-;4-(Benzyloxy)-3,5-dimethylbenzaldehyde #;4-Benzyloxy-3,5-dimethylbenzaldehyde, 97%;CS-0128432;FT-0617651;D97753;EN300-171141;A808288;J-008024;Z26052260

Chemical Property of 4-(Benzyloxy)-3,5-dimethylbenzaldehyde

Chemical Property:

• Appearance/Colour: clear yellow viscous liquid after melting
• Vapor Pressure: 4.23E-06mmHg at 25°C
• Melting Point: 162-163 °C
• Refractive Index: n20/D 1.587(lit.)
• Boiling Point: 384 °C at 760mmHg
• Flash Point: 169.8 °C
• PSA: 26.30000
• Density: 1.1 g/cm³
• LogP: 3.69490
• Sensitive.: Air Sensitive
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 240.115029749
• Heavy Atom Count: 18
• Complexity: 246

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Benzyloxy-3,5-dimethylbenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:
• Hazard Codes: R36/37/38:
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1OCC2=CC=CC=C2)C)C=O

Technology Process of 4-(Benzyloxy)-3,5-dimethylbenzaldehyde

There total 3 articles about 4-(Benzyloxy)-3,5-dimethylbenzaldehyde 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: 99.0%

4-hydroxy-3,5-dimethylbenzaldehyde (2233-18-3) + benzyl bromide (100-39-0) → 3,5-dimethyl-4-benzyloxy benzaldehyde (144896-51-5)

Guidance literature:

With potassium carbonate; In acetonitrile; at 20 ℃; for 16h; Heating / reflux;

Reference yield:

4-hydroxy-3,5-dimethylbenzaldehyde (2233-18-3) + benzyl chloride (100-44-7) → 3,5-dimethyl-4-benzyloxy benzaldehyde (144896-51-5)

Guidance literature:

With potassium carbonate; In acetonitrile;

Reference yield:

2.6-dimethylphenol (576-26-1,25134-01-4) → 3,5-dimethyl-4-benzyloxy benzaldehyde (144896-51-5)

Guidance literature:

Multi-step reaction with 2 steps

1: trifluoroacetic acid / 12 h / 80 °C

2: potassium carbonate; sodium iodide / acetone / 50 °C

With potassium carbonate; sodium iodide; In acetone; trifluoroacetic acid; 1: Duff reaction;

DOI:10.1021/ol202892r

upstream raw materials:

4-hydroxy-3,5-dimethylbenzaldehyde

benzyl bromide

benzyl chloride

2.6-dimethylphenol

Downstream raw materials:

C₂₇H₂₅BF₂N₂O

Refernces

• 1、 -. "Flavonoid derivative with tumor cell inhibition and preparation method and application thereof". Paragraph 0016; 0018. . Retrieved 2019/10/01.
• 2、 Liu, Na,Wei, Lei,Huang, Li,Yu, Fei,Zheng, Weifan,Qin, Bingjie,Zhu, Dong-Qin,Morris-Natschke, Susan L.,Jiang, Shibo,Chen, Chin-Ho,Lee, Kuo-Hsiung,Xie, Lan. "Novel HIV-1 Non-nucleoside Reverse Transcriptase Inhibitor Agents: Optimization of Diarylanilines with High Potency against Wild-Type and Rilpivirine-Resistant E138K Mutant Virus". . p. 3689 - 3704. Retrieved 2016/05/24.