3D Mol Similar

Z-PYR-OH

Iupac Name：(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

CAS No.: 32159-21-0

Molecular Weight：263.249

Modify Date.: 2022-11-22 20:22

Introduction:

White Powder

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1. Names and Identifiers

1.1 Name: Z-PYR-OH
1.2 Synonyms: (2S)-1-[(Benzyloxy)carbonyl]-5-oxopyrrolidine-2-carboxylic acid (2S)-5-Oxopyrrolidine-1,2-dicarboxylic acid 1-benzyl ester (Benzyloxycarbonyl)-L-pyroglutamic acid (S)-1-(Benzyloxycarbonyl)-5-oxopyrrolidine-2-carboxylic acid (S)-1-Benzyloxycarbonyl-5-oxopyrrolidine-2-carboxylic Acid (S)-1-Carbobenzoxy-5-oxopyrrolidine-2-carboxylic Acid (S)-1-Cbz-5-oxopyrrolidine-2-carboxylic Acid (S)-5-OXO-PYRROLIDINE-1,2-DICARBOXYLIC ACID 1-BENZYL ESTER 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(phenylmethyl) ester, (2S)- 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-(phenylmethyl) ester, (S)- 1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 1-benzyl ester, L- Carbobenzoxy-L-pyroglutamic acid L-(Phenylmethoxycarbonyl)pyroglutamic acid N-ALPHA-CARBOBENZOXY-L-PYROGLUTAMIC ACID N-ALPHA-CBZ-L-PYROGLUTAMIC ACID N-BENZYLOXYCARBONYL-L-PYROGLUTAMIC ACID N-BENZYLOXYCARBONYL-L-PYRROLIDONE CARBOXYLIC ACID N-Benzyloxycarbonylpyroglutamic acid N-Carbobenzoxypyroglutamic acid N-CBZ-L-PYROGLUTAMIC ACID n-cbz-l-pyroglutamicacidcrystalline Z-PGLU-OH Z-Pyr-OH

1.3 CAS No.: 32159-21-0

1.4 CID: 637648

1.5 EINECS(EC#): 250-936-0

1.6 Molecular Formula: C13H13NO5 (isomer)

1.7 Inchi: InChI=1S/C13H13NO5/c15-11-7-6-10(12(16)17)14(11)13(18)19-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,16,17)/t10-/m0/s1

1.8 InChkey: VHSFUGXCSGOKJX-JTQLQIEISA-N

1.9 Canonical Smiles: C1CC(=O)N(C1C(=O)O)C(=O)OCC2=CC=CC=C2

1.10 Isomers Smiles: C1CC(=O)N([C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2

2. Properties

2.1 Density: 1.408

2.1 Melting point: 128-130°C

2.1 Boiling point: 525.4°Cat760mmHg

2.1 Refractive index: 1.597

2.1 Flash Point: 271.5°C

2.1 Precise Quality: 263.07900

2.1 PSA: 83.91000

2.1 logP: 1.33670

2.1 Appearance: White to Almost white powder to crystal

2.2 Storage: Keep Cold.

2.3 Chemical Properties: White Powder Z-PYR-OHSupplier

2.4 pKa: 3.03±0.20(Predicted)

2.5 StorageTemp: ?20°C

3. Safety and Handling

3.1 Risk Statements: 22/22-36/37/38

3.1 Safety Statements: S22;S24/25

3.1 RIDADR: NONH for all modes of transport

3.1 WGK Germany: 3

3.1 Safety: Safety Statements: 22-24/25
S22: Do not breathe dust.
S24/25: When N(alpha)-Carbobenzoxypyroglutamic acid (CAS NO.32159-21-0) is used,avoid contact with skin and eyes.
WGK Germany: 3

4. 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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5. Synthesis Route

32159-21-0Total: 5 Synthesis Route

4124-76-9

32159-21-0 97 Suppliers

Literatures:
Journal of Medicinal Chemistry, , vol. 34, # 3 p. 956 - 968
Yield: null

1155-62-0 161 Suppliers

32159-21-0 97 Suppliers

Literatures:
Journal of Medicinal Chemistry, , vol. 33, # 2 p. 461 - 464
Yield: null

4124-76-9

1155-62-0 161 Suppliers

32159-21-0 97 Suppliers

Literatures:
Tetrahedron Asymmetry, , vol. 17, # 14 p. 2120 - 2125
Yield: null

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6. Precursor and Product

precursor:

98-79-3

501-53-1

497-19-8

1155-62-0

4124-76-9

product :

124620-51-5

5891-45-2

23356-96-9

75857-94-2

7. Other Information

7.0 Mesh Entry Terms: N(alpha)-carbobenzoxypyroglutamic acid

8. Computational chemical data

Molecular Weight: 263.249g/mol
Molecular Formula: C₁₃H₁₃NO₅
Compound Is Canonicalized: True
XLogP3-AA: 1.1
Exact Mass: 263.07937252
Monoisotopic Mass: 263.07937252
Complexity: 375
Rotatable Bond Count: 4
Hydrogen Bond Donor Count: 1
Hydrogen Bond Acceptor Count: 5
Topological Polar Surface Area: 83.9
Heavy Atom Count: 19
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: AAADccByOAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAACAAADCjhmAYwCIMABgCIAiHSGAACAAAgAAAIiAGICIgKJjKAsTiMcAAkxiGYqAec1yIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

9. Recommended Suppliers

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Purity:99%Packing: 200kg/bag FOB
Price: 2 USD/kilogram
Time: 2023/04/23

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Wuhan Dahua Weiye Pharmaceutical Co.,Ltd Audited Suppliers

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99% Z-PYR-OH 32159-21-0 Amino Acid

Purity:99%Packing: 200kg/bag FOB
Price: 1 USD/kilogram
Time: 2016/09/29

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GL Biochem (Shanghai) Ltd. Audited Suppliers

Products:Peptides; Amino acids and derivates;Antibodies
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Z-Pyr-OH

Purity:99%Packing: 200kg/bag FOB
Price: 0.00 USD/kilogram
Time: 2021/02/02

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CBZ-L-Pyr