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CAS 551-93-9

CAS 551-93-9

Chemistry, 1 End Use API, 70 Related Intermediates

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Also known as: 551-93-9, 1-(2-aminophenyl)ethanone, O-aminoacetophenone, 2-acetylaniline, O-acetylaniline, O-aminoacetylbenzene

Molecular Formula

C₈H₉NO

Molecular Weight

135.16 g/mol

InChI Key

GTDQGKWDWVUKTI-UHFFFAOYSA-N

FDA UNII

69Y77091BC

O-aminoacetophenone is a natural product found in Castanopsis cuspidata, Streptomyces, and Vitis vinifera with data available.

1 2D Structure

CAS 551-93-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2-aminophenyl)ethanone

2.1.2 InChI

InChI=1S/C8H9NO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,9H2,1H3

2.1.3 InChI Key

GTDQGKWDWVUKTI-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(=O)C1=CC=CC=C1N

2.2 Other Identifiers

2.2.1 UNII

69Y77091BC

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 2-aminoacetophenone

2. 2-aminoacetophenone Hydrochloride

3. O-aminoacetophenone

4. Ortho-aminoacetophenone

2.3.2 Depositor-Supplied Synonyms

1. 551-93-9

2. 1-(2-aminophenyl)ethanone

3. O-aminoacetophenone

4. 2-acetylaniline

5. O-acetylaniline

6. O-aminoacetylbenzene

7. 1-acetyl-2-aminobenzene

8. Acetophenone, 2'-amino-

9. Ethanone, 1-(2-aminophenyl)-

10. 1-(2-aminophenyl)-ethanone

11. 1-(2-aminophenyl)ethan-1-one

12. Ortho-aminoacetophenone

13. 2'-amonioacetophenone

14. 2-acetylphenylamine

15. Nsc 8820

16. Mfcd00007717

17. O-aminophenyl Methyl Ketone

18. 1-(2-amino-phenyl)-ethanone

19. Nsc-8820

20. 69y77091bc

21. 125507-96-2

22. Ethanol, 1-(6-imino-2,4-cyclohexadien-1-ylidene)- (9ci)

23. 2'-aminoacetophenone, >=98%

24. Ethanone, 1-(aminophenyl)-

25. Unii-69y77091bc

26. Hsdb 5494

27. 6-acetyl-aniline

28. 2'aminoacetophenone

29. 5 Kaal

30. Einecs 209-002-8

31. O-amino Acetophenone

32. Orthoaminoacetophenone

33. 2`-aminoacetophenone

34. 1-acetyl-aminobenzene

35. 2'-amino Acetophenone

36. Ai3-04095

37. 1-(aminophenyl)-ethanone

38. Dsstox_cid_30784

39. 1-(2'-aminophenyl)ethanone

40. Dsstox_gsid_52213

41. 2'-aminoacetophenone, 98%

42. Schembl309044

43. 2-(methylcarbonyl)benzeneamine

44. 1-(2-aminophenyl)ethanone #

45. 1-(2-aminophenyl)-1-ethanone

46. Chembl2251601

47. Dtxsid4052213

48. Fema No. 3906

49. 1-(2-aminophenyl)ethane-1-one

50. Chebi:91110

51. Fema 3906

52. Gtdqgkwdwvukti-uhfffaoysa-

53. Nsc8820

54. 1-(2-aminophenyl)ethanone, 9ci

55. O-aminoacetophenone [hsdb]

56. Zinc164490

57. Cs-d1191

58. Hy-i0501

59. Str00923

60. 2'-aminoacetophenone [fhfi]

61. Tox21_304027

62. Stl146696

63. Akos000120944

64. Ps-4579

65. Ncgc00357236-01

66. 2'-aminoacetophenone, Analytical Standard

67. 27941-88-4

68. Ac-25881

69. Bp-21338

70. Cas-551-93-9

71. Sy001368

72. Db-014028

73. A0250

74. Am20060473

75. Ft-0611221

76. 2 Inverted Exclamation Mark -aminoacetophenone

77. 51a939

78. A929275

79. J-507741

80. W-105581

81. Q27163057

82. Vnj

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₉NO
Molecular Weight	135.16 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	135.068413911 g/mol
Monoisotopic Mass	135.068413911 g/mol
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 Metabolism/Metabolites

YIELDS 2-CARBOXAMIDO-4-METHYLQUINAZOLINE, 2-HYDROXYMETHYL-4-METHYLQUINAZOLINE, & 4-METHYLQUINAZOLINE IN PSEUDOMONAS. /FROM TABLE/

Goodwin, B.L. Handbook of Intermediary Metabolism of Aromatic Compounds. New York: Wiley, 1976., p. A-30

2-AMINO-3-HYDROXYACETOPHENONE WAS ISOLATED FROM URINE OF RATS GIVEN 15 MG 2-AMINOACETOPHENONE/KG/DAY FOR 4 DAYS & FROM THE SUPERNATANT OF CULTURES OF RAT LIVER MICROSOMES INCUBATED WITH 2-AMINOACETOPHENONE FOR 2 HR AT 37 C.

PMID:5581083 KASEDA H ET AL; EXPERIENTIA 27 (4): 368 (1971)

IN CELL-FREE EXTRACTS OF BACILLUS SUBTILIS, 2'-AMINOACETOPHENONE WAS UTILIZED AS RAPIDLY AS AMINOACETONE.

HIGGINS IJ ET AL; NATURE (LONDON) 215 (5103): 887 (1967)

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CAS Number

3355-28-0

End Use API

Linagliptin

About the Company

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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