Piperonylamine

Base Information

• Chemical Name: Piperonylamine
• CAS No.: 2620-50-0
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.165
• Hs Code.: 29329900
• European Community (EC) Number: 220-056-1
• NSC Number: 75851
• DSSTox Substance ID: DTXSID00180836
• Nikkaji Number: J154F
• Wikidata: Q27463473
• Mol file: 2620-50-0.mol

Synonyms:Piperonylamine;2620-50-0;benzo[d][1,3]dioxol-5-ylmethanamine;3,4-Methylenedioxybenzylamine;1,3-Benzodioxole-5-methanamine;1,3-benzodioxol-5-ylmethylamine;1,3-Benzodioxol-5-ylmethanamine;1-(1,3-benzodioxol-5-yl)methanamine;3,4-(Methylenedioxy)benzylamine;5-(Aminomethyl)-1,3-benzodioxole;Benzo-1,3-dioxole-5-methylamine;2H-1,3-benzodioxol-5-ylmethanamine;MFCD00005840;EINECS 220-056-1;piperonyl amine;piperonyl-amine;1,3-Benzodioxol-5-ylmhylamine;NSC75851;(1,3-Benzodioxol-5-yl)methylamine;3,4-METHYLENEDIOXY BENZYLAMINE;Piperonylamine, 97%;SCHEMBL57649;262-50-0;3,4-methylenedioxy-benzylamine;3,4-methylenedioxybenzyl amine;SCHEMBL11082938;ZILSBZLQGRBMOR-UHFFFAOYSA-;DTXSID00180836;3,4-(methylenedioxy)-benzylamine;1 ,3-benzodioxol-5-ylmethylamine;1, 3-benzodioxol-5-ylmethylamine;(1,3-dioxaindan-5-yl)methanamine;(1,3-dioxaindan-5-yl)methylamine;(1,3-benzodioxol-5-ylmethyl)amine;BCP20906;benzo[1,3]dioxol-5-ylmethyl amine;STR02208;1,3-Benzodioxol-5-ylmethanamine #;2h-1,3-benzodioxol-5-ylmethylamine;NSC 75851;NSC-75851;STK801540;(benzo[1,3]dioxol-5-ylmethyl)amine;AKOS000119060;benzo[d][1,3]dioxol-5-ylmethylamine;c-benzo[1,3]dioxol-5-yl-methylamine;benzo[d][1,3]dioxol-5-ylmethaneamine;CS-W016315;FS-1191;SB13499;SDCCGMLS-0065921.P001;(2H-1,3-benzodioxol-5-yl)methanamine;benzo[d]-[1,3]dioxol-5-ylmethanamine;FT-0634403;P1057;EN300-19047;J-503863;Q27463473;F2190-0391;Z104472420;MR1

Chemical Property of Piperonylamine

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 0.00837mmHg at 25°C
• Refractive Index: n20/D 1.564(lit.)
• Boiling Point: 267 °C at 760 mmHg
• PKA: 9.40±0.40(Predicted)
• Flash Point: 120.9 °C
• PSA: 44.48000
• Density: 1.253 g/cm³
• LogP: 1.57430
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• Sensitive.: Air Sensitive
• Water Solubility.: 0.9 g/100 mL
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.063328530
• Heavy Atom Count: 11
• Complexity: 140

Purity/Quality:

98%,99%, ^*data from raw suppliers

Piperonylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38-34
• Safety Statements: 26-36-28A-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Other Aromatics (Nitrogen)
• Canonical SMILES: C1OC2=C(O1)C=C(C=C2)CN
• Uses: Piperonylamine is a metabolite of dopamine analogs.

Technology Process of Piperonylamine

There total 26 articles about Piperonylamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

piperonylonitrile (4421-09-4) → 1,3-benzodioxol-5-ylmethyl amine (2620-50-0)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 2h; Reflux;

Reference yield: 95.0%

piperonal (120-57-0,30024-74-9) → 1,3-benzodioxol-5-ylmethyl amine (2620-50-0)

Guidance literature:

With nickel(II) tetrafluoroborate hexahydrate; ammonia; hydrogen; bis(2-diphenylphosphinoethyl)phenylphosphine; In 2,2,2-trifluoroethanol; at 100 ℃; for 24h; chemoselective reaction;

DOI:10.1039/d0sc01084g

Reference yield: 85.0%

piperonylonitrile (4421-09-4) → 1,3-benzodioxol-5-ylmethyl amine (2620-50-0) + bis(benzo[d][1,3]dioxol-5-ylmethyl)amine (6701-35-5)

Guidance literature:

With sodium tetrahydroborate; nickel dichloride; In ethanol; at 20 ℃; for 0.0833333h;

DOI:10.1081/SCC-120003619

upstream raw materials:

piperonal

piperonal-(Z)-oxime

2-Trimethylsilanyl-ethanesulfonic acid (benzo[1,3]dioxol-5-ylmethyl)-amide

acetic acid

Downstream raw materials:

N-Piperonyl-glyconitril

(E)-N-(benzo[d][1,3]dioxol-5-ylmethyl)-1-phenylmethanimine

N-(benzo[d][1,3]dioxol-5-ylmethyl)benzamide

3-chloro-propionic acid piperonylamide

Refernces

• 1、 Beller, Matthias,Chandrashekhar, Vishwas G.,Jagadeesh, Rajenahally V.,Jiao, Haijun,Murugesan, Kathiravan,Wei, Zhihong. "General and selective synthesis of primary amines using Ni-based homogeneous catalysts". . p. 4332 - 4339. Retrieved 2020/05/18.
• 2、 Formenti, Dario,Mocci, Rita,Atia, Hanan,Dastgir, Sarim,Anwar, Muhammad,Bachmann, Stephan,Scalone, Michelangelo,Junge, Kathrin,Beller, Matthias. "A State-of-the-Art Heterogeneous Catalyst for Efficient and General Nitrile Hydrogenation". supporting information. p. 15589 - 15595. Retrieved 2020/10/02.