(S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester

CAS

91229-91-3

Catalog Number

ACM91229913

Category

Other Products

Molecular Weight

285.34

Molecular Formula

C₁₄H₂₃NO₅

MSDS COA Spec Sheet

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Specification

Synonyms

DI-TERT-BUTYL (2S)-5-OXOPYRROLIDINE-1,2-DICARBOXYLATE;BOC-(2S)-PYROGLUT-TBU;BOC-S-PYR-OTBU;BOC-L-PYR-OTBU;(S)-N-BOC-PYROGLUTAMIC ACID TERT-BUTYL ESTER;(S)-N-ALPHA-T-BUTYLOXYCARBONYL-PYROGLUTAMIC ACID T-BUTYL ESTER;(S)-N-ALPHA-TERT-BUTYLOXYCARBONYL-PYROGL

What is the molecular formula of (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester?

The molecular formula is C14H23NO5.

When was (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester created?

It was created on October 26, 2006.

What is the IUPAC name of (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester?

The IUPAC name is ditert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate.

What is the InChIKey of (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester?

The InChIKey is INVKHBRFFCQICU-VIFPVBQESA-N.

How many hydrogen bond acceptors does (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester have?

It has 5 hydrogen bond acceptors.

What is the exact mass of (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester?

The exact mass is 285.15762283 g/mol.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester?

The topological polar surface area is 72.9 Å².

How many heavy atoms are present in (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester?

There are 20 heavy atoms.

Does (S)-N-Boc-2-pyrrolidone-5-carboxylic acid tert-butyl ester have any defined atom stereocenters?

Yes, it has 1 defined atom stereocenter.

Upstream Synthesis Route 1

24424-99-5
35418-16-7

91229-91-3

Reference: [1] Tetrahedron Letters, 2008, vol. 49, # 12, p. 1957 - 1960

Upstream Synthesis Route 2

24424-99-5
98-79-3

1446414-49-8
91229-91-3
35418-16-7

Reference: [1] Tetrahedron, 2013, vol. 69, # 33, p. 6821 - 6825

Upstream Synthesis Route 3

24424-99-5
113400-36-5

91229-91-3

Reference: [1] Tetrahedron, 2004, vol. 60, # 45, p. 10277 - 10284
[2] Tetrahedron Letters, 1992, vol. 33, # 32, p. 4617 - 4620

Upstream Synthesis Route 4

24424-99-5
113400-36-5

91229-91-3

Reference: [1]Tetrahedron,2004,vol. 60,p. 10277 - 10284
[2]Tetrahedron Letters,1992,vol. 33,p. 4617 - 4620

Downstream Synthesis Route 1

91229-91-3

98-79-3

Reference: [1]Yoshifuji,Shigeyuki; Tanaka, Ken-ichi; Kawai, Tomoyuki; Nitta, Yoshihiro
[Chemical and pharmaceutical bulletin, 1986, vol. 34, # 9, p. 3873 - 3878]

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

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