Structure

3,5-Dimethyl-4-methoxybenzaldehyde

CAS
39250-90-3
Catalog Number
ACM39250903
Category
Other Products
Molecular Weight
164.2
Molecular Formula
C10H12O2

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Specification

Synonyms
3,5-Dimethyl-4-Methoxybenzaldehyde, 4-methoxy-3,5-dimethylbenzaldehyde, 39250-90-3, 4-methoxy-3,5-dimethyl-benzaldehyde, SBB064672, ZINC02581169, PubChem2637, AC1MBYGU, AC1Q44PB, ARONIS023635, Jsp006819, CTK4I1186, MolPort-000-154-837, ANW-56116, AKOS005111062, Benzaldehyde,4-methoxy-3,5-dimethyl-, AG-A-76382, AG-F-38642, AS03874, MCULE-7723866864
IUPAC Name
4-methoxy-3,5-dimethylbenzaldehyde
SMILES
CC1=CC(=CC(=C1OC)C)C=O
InChI Key
SNIGEINPLSDHBQ-UHFFFAOYSA-N
Boiling Point
264ºC at 760 mmHg
Flash Point
112.8ºC
Density
1.041g/cm³
Exact Mass
164.08400
Hazard Statements
Xi: Irritant;Xn: Harmful;
H-Bond Acceptor
2
H-Bond Donor
0

Upstream Synthesis Route 1

  • 2233-18-3
  • 74-88-4
  • 39250-90-3

Reference: [1] Journal of Medicinal Chemistry, 2008, vol. 51, # 20, p. 6348 - 6358
[2] Bioorganic and Medicinal Chemistry Letters, 2017, vol. 27, # 15, p. 3441 - 3449
[3] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 19, p. 4630 - 4637
[4] Angewandte Chemie - International Edition, 2014, vol. 53, # 41, p. 11056 - 11059[5] Angew. Chem., 2015, vol. 126, # 41, p. 11236 - 11239,4

Upstream Synthesis Route 2

  • 2233-18-3
  • 80-48-8
  • 39250-90-3

Reference: [1] Organic Process Research and Development, 2015, vol. 19, # 1, p. 270 - 283

Downstream Synthesis Route 1

  • 79-24-3
  • 39250-90-3
  • 24160-32-5

Reference: [1]Journal of Medicinal Chemistry,1970,vol. 13,p. 26 - 30

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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