Ethyl 1,4-dibenzyl-2-piperazinecarboxylate

Modify Date: 2024-01-11 18:33:09

Ethyl 1,4-dibenzyl-2-piperazinecarboxylate Structure
Ethyl 1,4-dibenzyl-2-piperazinecarboxylate structure
Common Name Ethyl 1,4-dibenzyl-2-piperazinecarboxylate
CAS Number 72351-59-8 Molecular Weight 338.443
Density 1.1±0.1 g/cm3 Boiling Point 442.0±45.0 °C at 760 mmHg
Molecular Formula C21H26N2O2 Melting Point N/A
MSDS N/A Flash Point 221.1±28.7 °C

 Names

Name Ethyl 1,4-dibenzylpiperazine-2-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.1±0.1 g/cm3
Boiling Point 442.0±45.0 °C at 760 mmHg
Molecular Formula C21H26N2O2
Molecular Weight 338.443
Flash Point 221.1±28.7 °C
Exact Mass 338.199432
PSA 32.78000
LogP 3.21
Vapour Pressure 0.0±1.1 mmHg at 25°C
Index of Refraction 1.579

 MSDS

Name: Ethyl 1 4-dibenzylpiperazine-2-carboxylate 97% Material Safety Data Sheet
Synonym: N,N'-1,4-Dibenzyl-2-ethoxycarbonyl piperazin
CAS: 72351-59-8
Section 1 - Chemical Product MSDS Name:Ethyl 1 4-dibenzylpiperazine-2-carboxylate 97% Material Safety Data Sheet
Synonym:N,N'-1,4-Dibenzyl-2-ethoxycarbonyl piperazin

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
72351-59-8 Ethyl 1,4-dibenzylpiperazine-2-carboxy 97% unlisted
Hazard Symbols: XI
Risk Phrases: 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 72351-59-8: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Viscous liquid
Color: orange
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 204 - 208 deg C @1.5mmHg
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C21H26N2O2
Molecular Weight: 338.45

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, bases.
Hazardous Decomposition Products:
Hydrogen cyanide, nitrogen oxides, carbon monoxide, carbon dioxide, ammonia.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 72351-59-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Ethyl 1,4-dibenzylpiperazine-2-carboxylate - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XI
Risk Phrases:
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 72351-59-8: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 72351-59-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 72351-59-8 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

 Safety Information

Hazard Codes Xi: Irritant;
Risk Phrases R36/37/38
Safety Phrases 26-36/37/39-37/39
HS Code 2933599090

 Synthetic Route

~99%

Ethyl 1,4-dibenzyl-2-piperazinecarboxylate Structure

Ethyl 1,4-diben...

CAS#:72351-59-8

Literature: Boehringer Ingelheim International GmbH Patent: US2004/192729 A1, 2004 ; Location in patent: Page 35 ;

~96%

Ethyl 1,4-dibenzyl-2-piperazinecarboxylate Structure

Ethyl 1,4-diben...

CAS#:72351-59-8

Literature: N.V. ORGANON Patent: WO2008/33764 A2, 2008 ; Location in patent: Page/Page column 53 ; WO 2008/033764 A2

~64%

Ethyl 1,4-dibenzyl-2-piperazinecarboxylate Structure

Ethyl 1,4-diben...

CAS#:72351-59-8

Literature: SUNSHINE LAKE PHARMA CO., LTD.; ZHANG, Yingjun; REN, Qingyun; LIU, Xinchang; SIEGFRIED, Goldmann Patent: WO2014/29193 A1, 2014 ; Location in patent: Paragraph 00473 ;

~80%

Ethyl 1,4-dibenzyl-2-piperazinecarboxylate Structure

Ethyl 1,4-diben...

CAS#:72351-59-8

Literature: NeuroMed Technologies, Inc. Patent: US2004/44004 A1, 2004 ;

 Customs

HS Code 2933599090
Summary 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

MFCD00126366
1,4-bis(phenylmethyl)-2-piperazinecarboxylic acid,ethyl ester
Ethyl 1,4-dibenzyl-2-piperazinecarboxylate
1,4-dibenzyl-2-ethoxycarbonylpiperazine
1,4-dibenzylpiperazine-2-carboxylic acid ethyl ester
2-Piperazinecarboxylic acid, 1,4-bis(phenylmethyl)-, ethyl ester
BUTTPARK 324-68
Ethyl 1,4-dibenzylpiperazine-2-carboxylate
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