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1-Methyl-3-phenylpiperazine

1-Methyl-3-phenylpiperazine structure

CAS No:
5271-27-2
Formula:
C11H16N2
Chemical Name:
1-Methyl-3-phenylpiperazine
Synonyms:
Piperazine,1-methyl-3-phenyl-;1-Methyl-3-phenylpiperazine;(±)-3-Phenyl-1-methylpiperazine
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

1-Methyl-3-phenylpiperazine is Off-White Solid

1-Methyl-3-phenylpiperazine Basic Attributes

Molecular Weight：

176.263

Exact Mass：

176.26

EC Number：

431-180-2

HScode：

2933599090

Characteristics

PSA：

15.3

XLogP3：

1.1

Appearance：

Off-White Solid

Density：

1.0±0.1 g/cm3

Melting Point：

58-60 °C

Boiling Point：

280.3°C at 760 mmHg

Flash Point：

122.1±14.1 °C

Refractive Index：

1.526

Water Solubility：

H2O: soluble

Storage Conditions：

-20ºC Freezer

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 2923 8/PG 3

wgk germany：

hazard class code：

R25;R34;R36/37/38

safety instructions：

S26-S36/37/39-S45

Marks：

T:Toxic;Xi:Irritant;

Precautionary statement(s)：

P280-P301 + P310-P305 + P351 + P338-P310

Hazard Statements：

H301-H314

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, and P501|H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]|P260, P264, P270, P273, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H301 (82.98%): Toxic if swallowed [Danger Acute toxicity, oral]|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1-Methyl-3-phenylpiperazine Use and Manufacturing

Methods of Manufacturing

20. (5-chloro-2, 4-dihydroxyphenyl)(4-methyl-2-phenylpiperazin-1-yl)methanone (11j) Compound 18 (0.20 g, 1.05 mmol), 24. (2, 4-bis(allyloxy)-5-isopropylphenyl)(4-methyl-2-phenylpiperazin-1-yl)methanone (16) Compound 14 (0.18 g, 0.66 mmol), The solution of compound 1 (150 mg, 0.64 mmol), 1-Methyl-3-phenylpiperazine (112 mg, 0.64 mmol), NaI (190 mg, 1.27 mmol) and DIPEA (0.22 ml, 1.27 mmol) DMSO (3.5 mL) was stirred at 135° C. for 48 h with oil bath. TLC was used to monitor the reaction. After cooled to room temperature, the reaction mixture was added to half-saturated ammonium chloride in water (80 mL) and stirred for 30 min. The solids were collected by filtration, washed by water. The crude product was purified by column chromatography (0-10percent MeOH in DCM) to give compound 65 as yellow solids. (51 mg, 21percent yield). 1H NMR (400 MHz, DMSO-d6) delta 11.91 (s, 1H), 9.12 (s, 1H), 8.08 (s, 1H), 7.30-7.00 (m, 5H), 6.70 (b, 1H), 5.75 (b, 1H), 5.54 (br, 1H), 4.02 (br, 1H), 3.32 (m, 1H), 3.12 (m, 1H), 2.80 (m, 1H), 2.32 (m, 1H), 2.16 (s, 3H), 1.98 (m, 1H), 1.82 (m, 1H), 0.88 (m, 2H), 0.62 (m, 2H); ESI-MS: calcd for (C21H25N7) 375, found 376 (MH+).

Uses

1-Methyl-3-phenylpiperazine used as reference materials for forensic laboratories. They affect the central and the autonomic nervous systems, the blood pressure, and smooth muscle.

Computed Properties

Molecular Weight:176.26
XLogP3:1.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:176.131348519
Monoisotopic Mass:176.131348519
Topological Polar Surface Area:15.3
Heavy Atom Count:13
Complexity:152
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Methyl-3-phenylpiperazine

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-Methyl-3-phenylpiperazine

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