CAS 101-39-3

Chemistry, 1 End Use API, 1 Related Intermediates

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Also known as: 101-39-3, Methylcinnamaldehyde, Z-alpha-methylcinnamaldehyde, 2-methyl-3-phenylacrylaldehyde, Alpha-methyl cinnamaldehyde, A-methyl cinnamaldehyde

Molecular Formula

C₁₀H₁₀O

Molecular Weight

146.19 g/mol

InChI Key

VLUMOWNVWOXZAU-UHFFFAOYSA-N

1 2D Structure

CAS 101-39-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-methyl-3-phenylprop-2-enal

2.1.2 InChI

InChI=1S/C10H10O/c1-9(8-11)7-10-5-3-2-4-6-10/h2-8H,1H3

2.1.3 InChI Key

VLUMOWNVWOXZAU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=CC1=CC=CC=C1)C=O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 101-39-3

2. Methylcinnamaldehyde

3. Z-alpha-methylcinnamaldehyde

4. 2-methyl-3-phenylacrylaldehyde

5. Alpha-methyl Cinnamaldehyde

6. A-methyl Cinnamaldehyde

7. .alpha.-methylcinnamaldehyde

8. (2e)-2-methyl-3-phenylprop-2-enal

9. 2-methyl-3-phenyl-prop-2-enal

10. Alpha-methyl-cinnamaldehyde

11. Dsstox_cid_5587

12. 2-methyl-3-phenyl-propenal

13. Dsstox_rid_77841

14. Dsstox_gsid_25587

15. Chembl3184118

16. Dtxsid4025587

17. 3-phenyl-2-methyl-prop-2-enal

18. Tox21_200051

19. Ncgc00257605-01

20. Cas-101-39-3

21. Ft-0622175

22. Ft-0656632

23. Ft-0695613

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₀O
Molecular Weight	146.19 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	146.073164938 g/mol
Monoisotopic Mass	146.073164938 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	152
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1

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CAS Number

101-39-3

Intermediate Name

Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...

Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.

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