CAS 74844-93-2

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1 Suppliers, 1 End Use APIs, 18 Related Intermediates

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1 End Use APIs
18 Related Intermediates

Chemistry

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Also known as: N-boc-3,4-dehydro-l-proline methyl ester, 873-085-2, 74844-93-2, Methyl n-boc-l-proline-3-ene, (s)-1-tert-butyl 2-methyl 1h-pyrrole-1,2(2h,5h)-dicarboxylate, (s)-2,5-dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

Molecular Formula

C₁₁H₁₇NO₄

Molecular Weight

227.26 g/mol

InChI Key

YDQDZLXTPXNOKO-QMMMGPOBSA-N

1 2D Structure

CAS 74844-93-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-O-tert-butyl 2-O-methyl (2S)-2,5-dihydropyrrole-1,2-dicarboxylate

2.1.2 InChI

InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h5-6,8H,7H2,1-4H3/t8-/m0/s1

2.1.3 InChI Key

YDQDZLXTPXNOKO-QMMMGPOBSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. N-boc-3,4-dehydro-l-proline Methyl Ester

2. 873-085-2

3. 74844-93-2

4. Methyl N-boc-l-proline-3-ene

5. (s)-1-tert-butyl 2-methyl 1h-pyrrole-1,2(2h,5h)-dicarboxylate

6. (s)-2,5-dihydro-pyrrole-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

7. Mfcd00080341

8. 1-(tert-butyl) 2-methyl (s)-2,5-dihydro-1h-pyrrole-1,2-dicarboxylate

9. 1-tert-butyl 2-methyl (2s)-2,5-dihydro-1h-pyrrole-1,2-dicarboxylate

10. Mfcd11846998

11. Schembl2559556

12. Dtxsid90439628

13. Ydqdzlxtpxnoko-qmmmgpobsa-n

14. Akos015850999

15. Akos016010241

16. As-38043

17. Sy282830

18. (r)-boc-3,4-dehydro-proline Methyl Ester

19. Db-387644

20. Cs-0099904

21. Methyl (s)-1-boc-2,5-dihydropyrrole-2-carboxylate

22. (s)-1-tert-butyl 2-methyl 1h-pyrrole-1, 2(2h, 5h)-dicarboxylate

23. (s)-1-tert-butyl 2-methyl 1h-pyrrole-1,2(2h, 5h)-dicarboxylate

24. O1-tert-butyl O2-methyl (2s)-2,5-dihydropyrrole-1,2-dicarboxylate

25. (s)-2,5-dihydropyrrole-1,2-dicarboxylic Acid 1-tert-butyl Ester 2-methyl Ester

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₇NO₄
Molecular Weight	227.26 g/mol
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	55.8
Heavy Atom Count	16
Formal Charge	0
Complexity	316
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	1