Encyclopedia / Pharmaceutical Intermediates / Organic Intermediate

N-CBZ-L-PROLINE TERT-BUTYL ESTER

CAS：16881-39-3
MW:305.374
MF：C17H23NO4

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Names and ldentifier
Properties
Msds
Computational chemical data
Realated Product Infomation

1. Names and Identifiers

1.1 Name: N-CBZ-L-PROLINE TERT-BUTYL ESTER

1.2 Synonyms: 1,2-Pyrrolidinedicarboxylic acid, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2S)-; 1-Benzyl 2-(2-methyl-2-propanyl) (2S)-1,2-pyrrolidinedicarboxylate; 1-Benzyl 2-tert-butyl (2S)-pyrrolidine-1,2-dicarboxylate; EINECS 240-911-2; MFCD00051777; N-ALPHA-BENZYLOXYCARBONYL-L-PROLINE-TERT-BUTYL ESTER; N-ALPHA-CARBOBENZOXY-L-PROLINE ALPHA-T-BUTYL ESTER; N-ALPHA-CARBOBENZOXY-L-PYRROLIDINE-2-CARBOXYLIC ACID ALPHA-T-BUTYL ESTER; N-Benzyloxycarbonyl-L-proline tert-butyl ester; N-CARBOBENZOXY-L-PROLINE TERT-BUTYL ESTER; N-CBZ-L-PROLINE T-BUTYL ESTER; Z-L-PROLINE T-BUTYL ESTER; Z-L-PRO-OTBU;

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1.3 CAS No.: 16881-39-3

1.4 CID: 7019799

1.5 EINECS: 240-911-2

1.6 Molecular Formula: C17H23NO4

1.7 Inchi: InChI=1S/C17H23NO4/c1-17(2,3)22-15(19)14-10-7-11-18(14)16(20)21-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12H2,1-3H3/t14-/m0/s1

1.8 InChkey: OULMZZGGALAOLR-AWEZNQCLSA-N

1.9 Canonical Smiles: CC(C)(C)OC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

1.10 Isomers Smiles: CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)OCC2=CC=CC=C2

2. Properties

2.1 Solubility: 几乎不溶 (0.07 g/L) (25 oC),

2.2 Appearance: Not Available

2.3 Storage: -15°C

2.4 pKa: -3.40±0.40(Predicted)

2.5 StorageTemp: Sealed in dry,2-8°C

3. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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4. Synthesis Route

16881-39-3Total: 12 Synthesis Route

501-53-1 149 Suppliers

16881-39-3 15 Suppliers

5891-45-2 59 Suppliers

16881-39-3 15 Suppliers

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5. Precursor and Product

precursor:

501-53-1

18595-34-1

125050-17-1

24424-99-5

507-19-7

124620-51-5

1148-11-4

5891-45-2

75-65-0

540-88-5

115-11-7

product:

2812-46-6

1148-11-4

6. Computed Properties

Molecular Weight：305.374g/mol
Molecular Formula：C₁₇H₂₃NO₄
Compound Is Canonicalized：True
Exact Mass：3
XLogP3-AA：305.16270821
Monoisotopic Mass：305.16270821
Complexity：396
Rotatable Bond Count：6
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：4
Topological Polar Surface Area：55.8
Heavy Atom Count：：22
Defined Atom Stereocenter Count：1
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceB6OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAAAAAADGzhmAYyCIMABACIAiDSGAACAAAgAAAIiAGICIgKJjKAsTiPMAAkxgGYqAeY0SIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

7. Toltal 14 Suppliers View more

N-Carbobenzoxy-L-Proline Tert-Butyl Ester

Dayang Chem (Hangzhou) Co., Ltd.

^1YR

Tel: Update Time:2024/06/17

inquire

Hangzhou J&H Chemical Co., Ltd

Tel: Update Time:2017/12/14

inquire

Antimex Chemical Limied

Tel: Update Time:2019/02/24

inquire

Sichuan ampebiochem Co., Ltd.

Tel: Update Time:2019/04/01

inquire

Chengdu Firster Pharmaceutical Co., Ltd.

Tel: Update Time:2019/04/01

inquire

8. Realated Product Infomation