3-Methylbut-2-en-1-amine hydrochloride

Base Information

• Chemical Name: 3-Methylbut-2-en-1-amine hydrochloride
• CAS No.: 26728-58-5
• Molecular Formula: C5H12ClN
• Molecular Weight: 121.61
• Hs Code.: 2921199090
• European Community (EC) Number: 816-445-6
• DSSTox Substance ID: DTXSID40949540
• NSC Number: 123512
• Mol file: 26728-58-5.mol

Synonyms:26728-58-5;3-methylbut-2-en-1-amine hydrochloride;3-METHYL-2-BUTENE-1-AMINE HCL;3-methylbut-2-en-1-amine;hydrochloride;3-methyl-2-butene-1-amine hydrochloride;3-methyl-2-butenylamine hydrochloride;PRENYLAMINE HYDROCHLORIDE;(3-methyl-2-butenyl)amine hydrochloride;DTXSID40949540;GBGNQLGJDQJQLJ-UHFFFAOYSA-N;3,3-Dimethylallylamine hydrochloride;MFCD00137292;NSC123512;3-methylbut-2-en-1-aminehydrochloride;AKOS026742347;3-Methyl-2-butenyl amine hydrochloride;3-methylbut-2-enyl-amine hydrochloride;AT36175;NSC-123512;3-Methyl-2-buten-1-amine hydrochloride;CS-0236946;EN300-175464;2-Buten-1-amine,3-methyl-,hydrochloride(1:1);3-Methylbut-2-en-1-amine--hydrogen chloride (1/1);F8888-0116;Z1827897919

Chemical Property of 3-Methylbut-2-en-1-amine hydrochloride

Chemical Property:

• Melting Point: 193-194 °C (decomp)
• Boiling Point: 114.1 °C at 760 mmHg
• Flash Point: 19.6 °C
• PSA: 26.02000
• Density: 0.787 g/cm³
• LogP: 2.41360
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.0658271
• Heavy Atom Count: 7
• Complexity: 51

Purity/Quality:

97% ^*data from raw suppliers

2-IsopentenylamineHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCN)C.Cl
• Uses: 2-Isopentenylamine Hydrochloride is used in the preparation of N9-substituted N6-[(3-methylbut-2-en-1-yl)amino]purine derivatives for their biological activity in various cytokinin bioasays.

Technology Process of 3-Methylbut-2-en-1-amine hydrochloride

There total 5 articles about 3-Methylbut-2-en-1-amine hydrochloride 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: 78.0%

N-prenylphthalimide (15936-45-5) → (3-methyl-2-butenyl)amine hydrochloride (26728-58-5)

Guidance literature:

N-prenylphthalimide; With hydrazine hydrate; In ethanol; water; for 1h; Reflux;

With hydrogenchloride; In ethanol; water; for 1h; Reflux;

DOI:10.1021/jm8011933

Reference yield:

3-methyl-2-buten-1-ol (556-82-1) → (3-methyl-2-butenyl)amine hydrochloride (26728-58-5)

Guidance literature:

3-methyl-2-buten-1-ol; With phthalimide; di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; for 0.5h; Cooling with ice;

With hydrazine hydrate; In tetrahydrofuran; at 20 ℃;

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; for 0.5h;

DOI:10.1002/anie.201502341

Reference yield:

prenyl bromide (870-63-3) → (3-methyl-2-butenyl)amine hydrochloride (26728-58-5)

Guidance literature:

With hydrogenchloride; guanidine nitrate; Yield given. Multistep reaction; 1) EtOH, 1 h;

upstream raw materials:

prenyl bromide

3-methylbut-2-enyl acetate

N-prenylphthalimide

3-methyl-2-buten-1-ol

Downstream raw materials:

C₁₈H₂₄NO₃P

C₁₈H₂₄NO₃P

C₁₈H₂₄NO₅P

2-Methylthio-trans-ribosylzeatin

Refernces

• 1、 Coxon, Geoffrey D.,Furman, Brian L.,Harvey, Alan L.,McTavish, John,Mooney, Mark H.,Arastoo, Mahmoud,Kennedy, Alan R.,Tettey, Justice M.,Waigh, Roger D.. "Benzylguanidines and other galegine analogues inducing weight loss in mice". supporting information; experimental part. p. 3457 - 3463. Retrieved 2010/03/25.
• 2、 -. "Heteroatom-bearing ligands and metal complexes thereof". . . Retrieved 2008/06/13.