(S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride

Basic Information

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CAS Number

960283-58-3

Molecular Formula

C10H21ClN2O2

Molecular Weight

236.74 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

SMILES

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CC1CNCCN1C(=O)OC(C)(C)C.Cl

InChI

InChI=1S/C10H20N2O2.ClH/c1-8-7-11-5-6-12(8)9(13)14-10(2,3)4;/h8,11H,5-7H2,1-4H3;1H/t8-;/m0./s1

InChIKey

CAKKNXNGNSFBHG-QRPNPIFTSA-N

LogP

1.6369999999999996

Topological Polar Surface Area

41.57000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

211

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

(S)-1-Boc-2-Methylpiperazine hydrochloride
(2S)-2-methyl-1-Piperazinecarboxylic acid 1,1-dimethylethyl ester hydrochloride
(S)-tert-Butyl 2-methylpiperazine-1-carboxylate hydrochloride
(S)-1-N-BOC-2-METHYL PIPERAZINE-HCL
(S)-1-N-Boc-2-methylpiperazine HCL
(S)-1-n-boc-2-methylpiperazine hydrochloride
tert-butyl (2S)-2-methylpiperazine-1-carboxylate,hydrochloride
CAKKNXNGNSFBHG-QRPNPIFTSA-N
ST2402901
AX8209621
AB0000994
W9800
(S)-1-N-BOC-2-METHYL PIPERAZINE hydrochloride
(S)-tert-Butyl 2-methylpiperazine-1-carboxylate HCl
tert-Butyl (2S)-2-m
(S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride
tert-Butyl (2S)-2-methylpiperazine-1-carboxylate--hydrogen chloride (1/1)
SCHEMBL377440
(S)-1-N-BOC-2-METHYL PIPERAZINE-HCl
960283-58-3
(S)-1-N-BOC-2-METHYL PIPERAZINE HCL
1,1-dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate hydrochloride
(s)-1-n-boc-2-methylpiperazine hydrochloride
(S)-tert-butyl2-methylpiperazine-1-carboxylatehydrochloride
(S)-1-Boc-2-methyl-piperazine hydrochloride
MFCD11101258
tert-butyl (2S)-2-methylpiperazine-1-carboxylate;hydrochloride
AKOS015922870
DS-14064
TERT-BUTYL (2S)-2-METHYLPIPERAZINE-1-CARBOXYLATE HYDROCHLORIDE
DTXSID60662441

MDL Number

MFCD11101258

Customs Code

2933599090

FAQ

What are the physical and chemical properties of (S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride (CAS: 960283-58-3)?

(S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride (CAS: 960283-58-3) is a crystalline solid with a molecular weight of approximately 242.34 g/mol. It has a pKa of about 8.2 and is soluble in water and organic solvents. The compound is relatively stable but can react with bases to form the corresponding free base. It is also susceptible to hydrolysis in basic conditions.

How is (S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride (CAS: 960283-58-3) typically synthesized?

(S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride (CAS: 960283-58-3) is synthesized via the condensation of tert-butyl 2-methylpiperazine-1-carboxylate with hydrochloric acid. The reaction is typically carried out in an aqueous medium, and the product is isolated by filtration and recrystallization. The yield is generally good, and the starting materials are readily available.

What industries use (S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride (CAS: 960283-58-3)?

(S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride (CAS: 960283-58-3) is used in the pharmaceutical, agricultural, and cosmetic industries. It serves as a precursor for the synthesis of various drugs and agrochemicals. Additionally, it can be utilized as a modifier in the production of polymers and as a component in sensor technologies due to its solubility and reactivity properties.

What precautions should be taken when handling (S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride (CAS: 960283-58-3)?

When handling (S)-tert-butyl 2-methylpiperazine-1-carboxylate hydrochloride (CAS: 960283-58-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure. In case of spills, avoid direct contact and use appropriate cleaning materials. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.