2-Methyl-2-propanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate

Basic Information

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CAS Number

1030377-21-9

Molecular Formula

C10H20N2O3

Molecular Weight

216.28 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

Basic Physical Properties

Physical State

Solid

Boiling Point

324 ºC

Flash Point

150 ºC

SMILES

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CC(C)(C)OC(=O)N1CCNCC1CO

InChI

InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-4-11-6-8(12)7-13/h8,11,13H,4-7H2,1-3H3/t8-/m0/s1

InChIKey

BCPPNDHZUPIXJM-QMMMGPOBSA-N

LogP

0.18760000000000043

Topological Polar Surface Area

61.8 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

225

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

tert-butyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
BCPPNDHZUPIXJM-QMMMGPOBSA-N
(S)-1-Boc-2-(Hydroxymethyl)piperazine
CS-D0657
DS-11245
2-(S)-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
J-502533
(S)-tert-butyl 2-(hydroxymethyl)piperazin-1-carboxylate
(2S)-Hydroxymethyl-piperazine-1-carboxylic acid tert-butyl ester
(S)-1-Boc-(2-Hydroxymethyl)piperazine
W-204474
AKOS005259018
(S)-1-Boc-2-hydroxymethylpiperazine
AC-33626
(S)-1-BOC-2-HYDROXYMETHYL-PIPERAZINE
(S)-1-N-Boc-2-(hydroxymethyl)piperazine
(S)-1-Boc-2-hydroxymethyl-piperazine, AldrichCPR
DTXSID10628734
(S)-2-(hydroxymethyl)-piperazine-1-carboxylic acid, tert-butyl ester
SCHEMBL1990452
1030377-21-9
(S)-TERT-BUTYL 2-(HYDROXYMETHYL)PIPERAZINE-1-CARBOXYLATE
A1844
(S)-1-N-BOC-2-HYDROXYMETHYLPIPERAZINE
MFCD07772093
AM20070680
1-Piperazinecarboxylicacid, 2-(hydroxymethyl)-, 1,1-dimethylethyl ester,(2S)-
(R)-1-N-Boc-2-(hydroxymethyl) piperazine
(R)-1-N-BOC-2-HYDROXYMETHYLPIPERAZINE
(R)-2-HYDROXYMETHYL-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
(S)-1-Boc-2-Hydroxymethyl-piperazine

MDL Number

MFCD31666087

Customs Code

2933599090

FAQ

What is 2-Methyl-2-propanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate (CAS: 1030377-21-9)?

2-Methyl-2-propanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate (CAS: 1030377-21-9) is a chiral organic compound with a piperazine ring and a 2-methyl-2-propanol side chain. It is used as a chiral auxiliary in the synthesis of pharmaceuticals and agrochemicals. The compound has good solubility in organic solvents and a moderate boiling point.

What are the main uses of 2-Methyl-2-propanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate (CAS: 1030377-21-9)?

2-Methyl-2-propanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate (CAS: 1030377-21-9) is primarily used as a chiral auxiliary in the manufacturing of pharmaceuticals and agrochemicals. It helps in the synthesis of enantiomerically pure compounds, which are essential for developing effective and safe drugs and pesticides.

Is 2-Methyl-2-proanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate (CAS: 1030377-21-9) safe?

2-Methyl-2-proanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate (CAS: 1030377-21-9) is generally safe for use in chemical synthesis, provided proper personal protective equipment (PPE) is worn. It is important to follow safety guidelines, including handling in a fume hood and avoiding contact with skin and eyes. Adequate ventilation is necessary to prevent inhalation exposure.

How should 2-Methyl-2-proanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate (CAS: 1030377-21-9) be stored?

2-Methyl-2-proanyl (2S)-2-(hydroxymethyl)-1-piperazinecarboxylate (CAS: 1030377-21-9) should be stored in a cool, dry place, protected from light and moisture. Store the compound in a tightly sealed container at room temperature. Avoid exposure to extreme temperatures and maintain good ventilation in the storage area to prevent the risk of fire or explosion.