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1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate

1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate structure

CAS No:
163438-09-3
Formula:
C11H19NO4
Chemical Name:
1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate
Synonyms:
1,3-Piperidinedicarboxylic acid,1-(1,1-dimethylethyl) ester,(3R)-;1,3-Piperidinedicarboxylic acid,1-(1,1-dimethylethyl) ester,(R)-;1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate;(R)-N-(tert-Butoxycarbonyl)nipecotic acid;Boc (R)-nipecotic acid;N-tert-Butoxycarbonyl-(R)-nipecotic acid;(3R)-1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid;(3R)-Piperidine-1,3-dicarboxylic acid 1-tert-butyl ester;(3R)-1-[[(1,1-Dimethylethyl)oxy]carbonyl]-3-piperidinecarboxylic acid;(R)-N-Boc-nipecotic acid;(R)-(-)-N-Boc-nipecotic acid;(R)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid;(R)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid;(R)-N-Boc-piperidine-3-carboxylic acid;(R)-N-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid;(R)-1-Boc-nipecotic acid;(R)-N-Boc-piperidine-3-carboxylic acid;(3R)-Piperidine-1,3-dicarboxylic acid 1-tert-butyl ester;(3R)-1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;(3R)-1-[(tert-Butoxy)carbonyl]piperidine-3-carboxylic acid
Categories:
Biochemical Engineering > Amino Acids and Derivatives

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Description

White powder

1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate Basic Attributes

Molecular Weight：

229.27

Exact Mass：

229.27

DSSTox ID：

DTXSID00349209

HScode：

29339900

Characteristics

PSA：

66.8

XLogP3：

1.1

Appearance：

White Crystalline Powder

Density：

1.164±0.06 g/cm3(Predicted)

Boiling Point：

353.2±35.0 °C(Predicted)

Flash Point：

167.4±25.9 °C

Refractive Index：

1.496

Vapor Pressure：

6.15E-06mmHg at 25°C

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate Use and Manufacturing

Step 1 : o o HO Y , NH HO Y _'NBoc (R)-Nipecotic acid (1.05 g, 8. 1 MMOL) was dissolved in THF (20 mi) and H20 (20 ML). (Boc) 20 (2.48g, 11. 4MMOL) and NAHCOS (0.96 g, 11.4 MMOL) was added. The mixture was stirred at RT overnight. The mixture was diluted with H20 and ether. The aqueous layer was adjusted to pH=2 with concentrated HO and extracted with CH2CI2. The organic layers were combined, dried (NA2SO4), and concentrated to give N-BOC- (R)-NIPECOTIC acid (1.8 g, 97percent). LCMS (Conditions A) TR = 3.26 min, 230 (M+H).Scheme 3; Preparation of (/?)-l-(Ter/-butoxycarbonyl)piperidine-3-carboxylic acid (120). To a stirred mixture of (i?)-piperidine-3-carboxylic acid (119, 4.00 g, 31.0 mmol) in THF (76 rnL) and water (76 mL) was added BoC(3R)-Piperidine-1, 3-dicarboxylic acid 1-tert-butyl ester EXAMPLE 23 EXAMPLE 23

Computed Properties

Molecular Weight:229.27
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:229.13140809
Monoisotopic Mass:229.13140809
Topological Polar Surface Area:66.8
Heavy Atom Count:16
Complexity:282
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Content: 99.00%

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(R)-Boc-Nipecotic acid 99% white to Off white solid

CAS No.: 163438-09-3

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Guide of 1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-(1,1-Dimethylethyl) (3R)-1,3-piperidinedicarboxylate

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