CAS 57591-61-4

Chemistry, 1 End Use API, 2 Related Intermediates

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Also known as: 57591-61-4, (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate hydrochloride, D-4-hydroxyphenylglycine methyl ester hcl, D-4-hydroxyphenylglycine methyl ester hydrochloride, (r)-amino-(4-hydroxyphenyl)acetic acid methyl ester hcl, (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate hcl

Molecular Formula

C₉H₁₂ClNO₃

Molecular Weight

217.65 g/mol

InChI Key

UYCKVJUNDXPDJH-DDWIOCJRSA-N

1 2D Structure

CAS 57591-61-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (2R)-2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride

2.1.2 InChI

InChI=1S/C9H11NO3.ClH/c1-13-9(12)8(10)6-2-4-7(11)5-3-6;/h2-5,8,11H,10H2,1H3;1H/t8-;/m1./s1

2.1.3 InChI Key

UYCKVJUNDXPDJH-DDWIOCJRSA-N

2.1.4 Canonical SMILES

COC(=O)C(C1=CC=C(C=C1)O)N.Cl

2.1.5 Isomeric SMILES

COC(=O)[C@@H](C1=CC=C(C=C1)O)N.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 57591-61-4

2. (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate Hydrochloride

3. D-4-hydroxyphenylglycine Methyl Ester Hcl

4. D-4-hydroxyphenylglycine Methyl Ester Hydrochloride

5. (r)-amino-(4-hydroxyphenyl)acetic Acid Methyl Ester Hcl

6. (r)-methyl 2-amino-2-(4-hydroxyphenyl)acetate Hcl

7. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate;hydrochloride

8. Mfcd01862152

9. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate Hydrochloride

10. Methyl (2r)-2-amino-2-(4-hydroxyphenyl)acetate,hydrochloride

11. Schembl1584177

12. Dtxsid10528780

13. Akos015893992

14. Cs-w014809

15. Gs-4249

16. Ac-33864

17. Am20060676

18. 591a614

19. A854379

20. D-p-hydroxyphenylglycine Methyl Ester Hydrochloride

21. Methyl(r)-amino-(4-hydroxyphenyl)acetate Hydrochloride

22. Methyl (r)-amino-(4-hydroxyphenyl)acetate Hydrochloride

23. (r)-methyl2-amino-2-(4-hydroxyphenyl)acetatehydrochloride

24. Methyl (2r)-amino(4-hydroxyphenyl)acetate--hydrogen Chloride (1/1)

25. (r)-amino-(4-hydroxyphenyl)acetic Acid Methyl Ester Hydrochloride, 97%

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₉H₁₂ClNO₃
Molecular Weight	217.65 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	217.0505709 g/mol
Monoisotopic Mass	217.0505709 g/mol
Topological Polar Surface Area	72.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	176
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

57591-61-4

End Use API

Cephalexin

About the Company

Zhejiang Apeloa Medical Technology Co., Ltd.(Zhejiang Apeloa Jiayuan Pharmaceutical Co., Ltd.) is a medic...

Zhejiang Apeloa Medical Technology Co., Ltd.(Zhejiang Apeloa Jiayuan Pharmaceutical Co., Ltd.) is a medicinal industry enterprise integrating R&D, manufacturing，marketing and contract manufacture of Intermediates, API and Amino acid. She owns the GMP workshops and USA FDA site inspected the API division at May, 2007, intermediates division at Jan., 2009.R&D center is a State Certificate Enterprise and Postdoctoral Workstation. She has acquired USA FDA and SFDA approval and got GMP and certificates.

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