2-(Adamantan-1-ylthio)ethanamine

Base Information

• Chemical Name: 2-(Adamantan-1-ylthio)ethanamine
• CAS No.: 30771-87-0
• Molecular Formula: C₁₂H₂₁NS
• Molecular Weight: 211.371
• Hs Code.: 2930909090
• NSC Number: 193473
• Mol file: 30771-87-0.mol

Synonyms:30771-87-0;2-(Adamantan-1-ylthio)ethanamine;2-(1-adamantylsulfanyl)ethanamine;2-(1-Adamantylthio)ethanamine;NSC193473;NSC 193473;2-(adamantan-1-ylsulfanyl)ethan-1-amine;2-(1-Adamantylthio)ethylamine;[2-(1-adamantylthio)ethyl]amine hydrochloride;2-(tricyclo[3.3.1.1~3,7~]dec-1-ylsulfanyl)ethanamine;S-(1-adamantyl)mercaptoethylamine;ChemDiv3_000358;Oprea1_511277;Oprea1_853831;SCHEMBL3709133;[2-(1-Adamantylthio)ethyl]amine;OZPHISPFLDEVDS-UHFFFAOYSA-N;HMS1474A06;BBL003398;STK950823;2-(Adamantan-1-ylthio)ethan-1-amine;AKOS000573710;NSC-193473;NCGC00175693-01;NCGC00175693-02;VS-01322;CS-0320462;EU-0034455;FT-0683073;AB00073965-01;AB00073965-04;BRD-K30726339-001-01-9;BRD-K30726339-003-01-5

Chemical Property of 2-(Adamantan-1-ylthio)ethanamine

Chemical Property:

• Vapor Pressure: 0.000271mmHg at 25°C
• Boiling Point: 322.9°Cat760mmHg
• Flash Point: 149.1°C
• PSA: 51.32000
• Density: 1.1g/cm³
• LogP: 3.34740
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 211.13947085
• Heavy Atom Count: 14
• Complexity: 185

Purity/Quality:

98%min ^*data from raw suppliers

2-(tricyclo[3.3.1.1~3,7~]dec-1-ylsulfanyl)ethanamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)SCCN

Technology Process of 2-(Adamantan-1-ylthio)ethanamine

There total 2 articles about 2-(Adamantan-1-ylthio)ethanamine 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:

S-adamantan-1-ylisothiourea hydrobromide (30771-94-9) → S-(1-adamantyl)mercaptoethylamine (30771-87-0)

Guidance literature:

Multi-step reaction with 2 steps

1: NaOH

2: NaOMe / methanol / Heating

With sodium hydroxide; sodium methylate; In methanol;

DOI:10.1021/jo00819a029

Reference yield:

2-bromoethylamine (107-09-5) + ethyl bromide (74-96-4) + 1-Adamantanethiol (34301-54-7) → S-(1-adamantyl)mercaptoethylamine (30771-87-0)

Guidance literature:

With sodium methylate; In methanol; Heating;

DOI:10.1021/jo00819a029

Reference yield:

S-(1-adamantyl)mercaptoethylamine (30771-87-0) + p-toluenesulfonyl chloride (98-59-9) → 1-Adamantylthio-2-p-toluolsulfonamidoaethan (30771-91-6)

Guidance literature:

With pyridine; Heating;

DOI:10.1021/jo00819a029

upstream raw materials:

2-bromoethylamine

ethyl bromide

1-Adamantanethiol

S-adamantan-1-ylisothiourea hydrobromide

Downstream raw materials:

1-Adamantylthio-2-p-toluolsulfonamidoaethan