2-Propanone, (1-methylethylidene)hydrazone

Base Information

• Chemical Name: 2-Propanone, (1-methylethylidene)hydrazone
• CAS No.: 627-70-3
• Molecular Formula: C6H12 N2
• Molecular Weight: 112.175
• Hs Code.: 2928000090
• European Community (EC) Number: 211-009-6
• NSC Number: 170328,52680
• UNII: Q18Y7G3ZPB
• DSSTox Substance ID: DTXSID1060845
• Nikkaji Number: J6.870E
• Wikipedia: Acetone_azine
• Wikidata: Q4673277
• Mol file: 627-70-3.mol

Synonyms:Acetone azine;627-70-3;Acetone, azine;Ketazine;2-Propanone, (1-methylethylidene)hydrazone;Acetone ketazine;Dimethyl ketazine;N-(propan-2-ylideneamino)propan-2-imine;EINECS 211-009-6;NSC 52680;NSC 170328;BRN 0956583;Q18Y7G3ZPB;AI3-27679;2-Propanone, 2-(1-methylethylidene)hydrazone;NSC-52680;NSC-170328;4-01-00-03207 (Beilstein Handbook Reference);bis(propan-2-ylidene)hydrazine;propan-2-one azine;Acetone (1-methylethylidene)hydrazone;Acetone azine, 98%;2,2'-Azinobispropane;UNII-Q18Y7G3ZPB;SCHEMBL211089;DTXSID1060845;1,2-di(propan-2-ylidene)hydrazine;NSC52680;NSC170328;Acetone (1-methylethylidene)hydrazone #;N-(propan-2-ylideneamino)-2-propanimine;AS-81512;LS-123102;FT-0654180;A833984;Q4673277;1,1,4,4-TETRAMETHYL-2,3-DIAZABUTA-1,3-DIENE

Chemical Property of 2-Propanone, (1-methylethylidene)hydrazone

Chemical Property:

• Vapor Pressure: 10.6mmHg at 25°C
• Melting Point: −125 °C(lit.)
• Refractive Index: n20/D 1.454(lit.)
• Boiling Point: 133 °C763 mm Hg(lit.)
• PKA: 9.16±0.50(Predicted)
• Flash Point: 88 °F
• PSA: 24.72000
• Density: 0.842 g/mL at 25 °C(lit.)
• LogP: 1.86300
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 98.5

Purity/Quality:

98% ^*data from raw suppliers

Acetone azine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T
• Statements: 45-10-21/22-36/37/38
• Safety Statements: 53-26-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=NN=C(C)C)C

Technology Process of 2-Propanone, (1-methylethylidene)hydrazone

There total 61 articles about 2-Propanone, (1-methylethylidene)hydrazone 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: 40.0%

1,5',5'-trimethyl-3,4'-diphenylspiro[1H-quinoline-2,4'-(3',5'-dihydro[1,2,3]tiazole)] (263762-84-1) → (1-methyl-4-phenyl-1H-quinolin-2-ylidene)-phenyl-amine + 2,3-dihydro-1,3,3-trimethyl-2-(N-phenylimino)-5-phenyl-1H-benz[b]azepine + propan-2-one azine (627-70-3)

Guidance literature:

In benzene-d6; at 25 ℃; for 24h; Irradiation;

DOI:10.1002/(SICI)1099-0690(200002)2000:3<507::AID-EJOC507<3.0.CO;2-V

Reference yield: 39.0%

isopropyl alcohol (67-63-0,8013-70-5) → propan-2-one azine (627-70-3)

Guidance literature:

With sodium tetrahydroborate; Ni(N,N-bis(2-{pyrid-2-yl}ethyl)amine)(Cl₂); potassium tert-butylate; hydrazine hydrate; In tetrahydrofuran; at 80 ℃; for 24h;

DOI:10.1016/j.catcom.2019.02.024

Reference yield: 19.0%

Dewar-benzol (5649-95-6) + 2-diazopropane (2684-60-8) → (1α,2β,5β,6α)-9,9-Dimethyl-7,8-diazatricyclo<4.3.0.02,5>nona-3,7-dien (126950-02-5) + propan-2-one azine (627-70-3)

Guidance literature:

In diethyl ether; pentane; at -15 ℃;

upstream raw materials:

N,N'-bis(1-methylethylidene)carbonohydrazide

hydrazine-N,N'-dicarboxylic acid bis-isopropylidenehydrazide

1-isopropylidene-5-phenyl carbonohydrazide

Ethyl oxamate

Downstream raw materials:

3,5,5-Trimethylpyrazolin

1-benzyl-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole

1-ethyl-3,5,5-trimethyl-4,5-dihydro-1H-pyrazole

N-(2,4-dinitrophenyl)-N'-isopropylidene-hydrazine

Refernces

• 1、 Field, Leslie D.,Li, Hsiu L.,Dalgarno, Scott J.,McIntosh, Ruaraidh D.. "Ammonia and Hydrazine from Coordinated Dinitrogen by Complexes of Iron(0)". . p. 2006 - 2011. Retrieved 2019.
• 2、 Peil, Sebastian,Bistoni, Giovanni,Goddard, Richard,Fürstner, Alois. "Hydrogenative metathesis of enynes via piano-stool ruthenium carbene complexes formed by alkyne gem-hydrogenation". supporting information. p. 18541 - 18553. Retrieved 2020/11/17.
• 3、 Shiekh, Bilal Ahmad,Kaur, Damanjit,Godara, Sachin Kumar. "Unprecedented synthesis of symmetrical azines from alcohols and hydrazine hydrate using nickel based NNN-pincer catalyst: An experimental and computational study". . p. 19 - 23. Retrieved 2019/03/02.