Unii-jtt4JX9GU8

Base Information

• Chemical Name: Unii-jtt4JX9GU8
• CAS No.: 1743-01-7
• Molecular Formula: C10H14ClN
• Molecular Weight: 183.681
• Hs Code.: 2921450090
• Mol file: 1743-01-7.mol

Synonyms:JTT4JX9GU8;EINECS 217-111-7;2-Aminotetralin hydrochloride, (+/-)-;UNII-JTT4JX9GU8;NSC 52717

Chemical Property of Unii-jtt4JX9GU8

Chemical Property:

• Vapor Pressure: 0.0214mmHg at 25°C
• Melting Point: 241 °C
• Boiling Point: 250.7 °C at 760 mmHg
• Flash Point: 111.6 °C
• PSA: 26.02000
• Density: 1.023g/cm³
• LogP: 3.00490
• Storage Temp.: Sealed in dry,Room Temperature
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 182.0736521
• Heavy Atom Count: 12
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

1,2,3,4-Tetrahydronaphthalen-2-aminehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2CC1N.[Cl-]

Technology Process of Unii-jtt4JX9GU8

There total 6 articles about Unii-jtt4JX9GU8 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%

1,2,3,4-tetrahydronaphthalen-2-one (530-93-8) → JGC 127 hydrochloride (1743-01-7,49812-93-3)

Guidance literature:

With hydrogenchloride; ammonium acetate; sodium cyanoborohydride; In methanol; for 72h; Ambient temperature;

DOI:10.1021/jm00181a009

Reference yield:

dibenzyl N-(1,2,3,4-tetrahydro-1-oxonaphthalen-2-yl)-N,N'-hydrazinedicarboxylate (138206-92-5) → JGC 127 hydrochloride (1743-01-7,49812-93-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 81 percent / L-Selectride / tetrahydrofuran / 1.) -78 deg C, 4 h, 2.) r.t., 30 min

2: 1.) H₂, 2.) H₂ / 1.) 10percent Pd/C, 2.) Raney-Ni / 1.) MeOH, r.t., 1 h, 2.) r.t., 4 h, 50 bar

With hydrogen; L-Selectride; palladium on activated charcoal; nickel; In tetrahydrofuran;

Reference yield:

3,4-dihydronaphthalene-1(2H)-one (529-34-0) → JGC 127 hydrochloride (1743-01-7,49812-93-3)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) LDA / 1.) THF, hexane, -78 deg C, 1 h, 2.) THF, -78 deg C, 3 min

2: 81 percent / L-Selectride / tetrahydrofuran / 1.) -78 deg C, 4 h, 2.) r.t., 30 min

3: 1.) H₂, 2.) H₂ / 1.) 10percent Pd/C, 2.) Raney-Ni / 1.) MeOH, r.t., 1 h, 2.) r.t., 4 h, 50 bar

With hydrogen; L-Selectride; lithium diisopropyl amide; palladium on activated charcoal; nickel; In tetrahydrofuran;

upstream raw materials:

benzyl (3aRS,9bSR)-N-(2,3,3a,4,5,9b-hexahydro-2-oxonaphth<2.1-d>oxazol-3-yl)carbamate

1,2,3,4-tetrahydronaphthalen-2-one

dibenzyl N-(1,2,3,4-tetrahydro-1-oxonaphthalen-2-yl)-N,N'-hydrazinedicarboxylate

3,4-dihydronaphthalene-1(2H)-one

Downstream raw materials:

N-(1,2,3,4-tetrahydro-[2]naphthyl)-butyramide

5-[N-(tert-butoxycarbonyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-2-yl)salicylamide

phenylmethyl 1,2,3,4-tetrahydronaphthalene-2-carbamate

N-(1,2,3,4-tetrahydro-2-naphthyl)-2-phenylacetamide

Refernces

• 1、 -. "DERIVATIVES OF 4-(AMINOMETHYL) PIPERIDINE, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION". . . Retrieved 2008/06/13.
• 2、 Cannon, Joseph G.,Perez, Julio A.,Pease, Jonathan P,Long, John Paul,Flynn, Jan R.,et al.. "Comparison of Biological Effects of N-Alkylated Congeners of β-Phenylethylamine Derived from 2-Aminotetralin, 2-Aminoindan, and 6-Aminobenzocycloheptene". . p. 745 - 749. Retrieved 2007/10/02.