Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate

Basic Information

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CAS Number

39945-51-2

Molecular Formula

C14H19NO3

Molecular Weight

249.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

59-60 °C

Boiling Point

396.4℃ at 760 mmHg

Density

1.162±0.06 g/cm3(Predicted)

Flash Point

193.5℃

SMILES

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C1CC(CN(C1)C(=O)OCC2=CC=CC=C2)CO

InChI

InChI=1S/C14H19NO3/c16-10-13-7-4-8-15(9-13)14(17)18-11-12-5-2-1-3-6-12/h1-3,5-6,13,16H,4,7-11H2

InChIKey

XLWOOUZKMJBINO-UHFFFAOYSA-N

LogP

2.0275

pKa

14.93±0.10(Predicted)

Topological Polar Surface Area

49.77000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

264

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8°C

Synonyms & References

English

AC-22469
SB10263
N-Carbobenzyloxy-3-piperidinemethanol
SCHEMBL1320424
SY321010
1-benzyloxycarbonyl-3-piperidinyl methanol
3-Hydroxymethyl-piperidine-1-carboxylic acid benzyl ester
Benzyl 3-(hydroxymethyl)tetrahydro-1(2H)-pyridinecarboxylate, AldrichCPR
FT-0622798
benzyl3-(hydroxymethyl)piperidine-1-carboxylate
PB17305
1-benzyloxycarbonyl-3-hydroxymethyl-piperidine
1-(Benzyloxycarbonyl)piperidin-3-yl methanol
SS-3395
benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate
1-Cbz-3-(hydroxymethyl)piperidine
1-BENZYLOXYCARBONYL-3-PIPERIDINEMETHANOL
DTXSID70380200
XLWOOUZKMJBINO-UHFFFAOYSA-N
1-Cbz-3-Hydroxymethylpiperidine
PB24322
N-CBZ-3-PIPERIDINEMETHANOL
N-CBZ-(3-HYDROXYMETHYL)PIPERIDINE
AM20040384
benzyl 3-(hydroxymethyl)piperidine-1-carboxylate
MFCD17168404
1-benzyloxycarbonyl-3-hydroxymethylpiperidine
1-Cbz-3-hydroxymethyl-piperidine
CS-W012658
A6670
MFCD03407298

MDL Number

MFCD03407298

Customs Code

2933399090

FAQ

What are the physical and chemical properties of Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 39945-51-2)?

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 39945-51-2) is a colorless to light yellow crystalline solid. Its molecular weight is approximately 242.3 g/mol. It is slightly soluble in water but soluble in organic solvents such as ethanol and acetone. It is reactive towards nucleophiles and can undergo ester hydrolysis under basic conditions.

How is Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 39945-51-2) typically synthesized?

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate is typically synthesized via a condensation reaction between benzyl chloride and 3-(hydroxymethyl)-1-piperidinecarboxylic acid. The reaction is catalyzed by an acid or base and proceeds with good yield and selectivity.

What industries use Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 39945-51-2)?

Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 39945-51-2) is used in the pharmaceutical industry for the synthesis of drugs. It is also utilized in the polymer industry for the modification of polymer properties. Some applications include the preparation of drug delivery systems and as a monomer in the synthesis of functional polymers.

What precautions should be taken when handling Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 39945-51-2)?

When handling Benzyl 3-(hydroxymethyl)-1-piperidinecarboxylate (CAS: 39945-51-2), it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work in a well-ventilated area or a fume hood. Spills should be immediately cleaned up with appropriate absorbent material. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.