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1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate structure

CAS No:
13726-69-7
Formula:
C10H17NO5
Chemical Name:
1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
Synonyms:
1,2-Pyrrolidinedicarboxylic acid,4-hydroxy-,1-(1,1-dimethylethyl) ester,(2S,4R)-;1,2-Pyrrolidinedicarboxylic acid,4-hydroxy-,1-tert-butyl ester,L-;1,2-Pyrrolidinedicarboxylic acid,4-hydroxy-,1-(1,1-dimethylethyl) ester,(2S-trans)-;1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate;N-(tert-Butoxycarbonyl)hydroxy-L-proline;N-(tert-Butyloxycarbonyl)-4-hydroxyproline;N-(tert-Butoxycarbonyl)hydroxyproline;N-(tert-Butoxycarbonyl)-4-hydroxy-L-proline;(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid;N-tert-Butoxycarbonyl-(4R)-4-hydroxy-L-proline;trans-1-(tert-Butoxycarbonyl)-4-hydroxy-L-proline;(2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester;(2S,4R)-4-Hydroxy-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid;NSC 343720;(4R)-1-(tert-Butoxycarbonyl)-4-hydroxy-L-proline;1-(tert-Butoxycarbonyl)-(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;(2S,4R)-1-(tert-Butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid;(2S,4R)-4-Hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;Boc-L-trans-γ-hydroxyproline;N-Boc-trans-4-hydroxy-L-proline;Boc-trans-Hydroxy-L-proline;(2S,4R)-N-tert-Butoxycarbonyl-4-hydroxyproline;N-tert-Butoxycarbonyl trans-4-hydroxy-L-proline;112770-75-9
Categories:
Pharmaceutical Intermediates > Antivirals

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Description

White powder

1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate Basic Attributes

Molecular Weight：

231.25

Exact Mass：

231.25

EC Number：

1533716-785-6

UNII：

RC99P5B8IG

DSSTox ID：

DTXSID30731012

HScode：

2933 99 80

Characteristics

PSA：

87.1

XLogP3：

0.3

Appearance：

White to off-white Powder

Density：

1.312±0.06 g/cm3(Predicted)

Melting Point：

126-128 °C

Boiling Point：

390.9±42.0 °C(Predicted)

Flash Point：

190.2±27.9 °C

Refractive Index：

-68 ° (C=1, MeOH)

Water Solubility：

very faint turbidity

Storage Conditions：

−20°C

Vapor Pressure：

9.99E-08mmHg at 25°C

Specific rotation：

-78 º (in H2O)

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 10 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:231.25
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:231.11067264
Monoisotopic Mass:231.11067264
Topological Polar Surface Area:87.1
Heavy Atom Count:16
Complexity:296
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

Description
Basic Attributes
Characteristics
Safety Information
Computed Properties
Recommended Suppliers
Latest News
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1-(1,1-Dimethylethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate

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