1-Bromo-3-ethyladamantane

Base Information

• Chemical Name: 1-Bromo-3-ethyladamantane
• CAS No.: 878-61-5
• Molecular Formula: C12H19 Br
• Molecular Weight: 243.187
• Hs Code.: 2903890090
• DSSTox Substance ID: DTXSID10370802
• Mol file: 878-61-5.mol

Synonyms:1-bromo-3-ethyladamantane;878-61-5;1-Ethyl-3-bromoadamantane;1-bromo-3-ethyl-adamantane;CDS1_000293;Maybridge1_002581;1-Bromo-3-ethyl Adamantane;DivK1c_001333;SCHEMBL11252025;HMS548N07;DTXSID10370802;QUUCNKWMKRZRGC-UHFFFAOYSA-N;AS-9076;AM20070519;CS-0322161;FT-0607483;5-amino-2-((5-amino-2-hydroxybenzoyl)oxy)benzoic acid

Chemical Property of 1-Bromo-3-ethyladamantane

Chemical Property:

• Vapor Pressure: 0.0178mmHg at 25°C
• Melting Point: 23 °C
• Boiling Point: 124 °C
• Flash Point: 115.6±8.4℃
• PSA: 0.00000
• Density: 1.344±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 4.13030
• Storage Temp.: Refrigerator, under inert atmosphere
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 242.06701
• Heavy Atom Count: 13
• Complexity: 219

Purity/Quality:

98%Min ^*data from raw suppliers

1-Ethyl-3-bromoadamantane ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC12CC3CC(C1)CC(C3)(C2)Br
• Uses: 1-Bromo-3-ethyladamantane have been used in the synthesis of 1-adamantyloxyalkanols. 1-Ethyl-3-bromoadamantane have been used in the synthesis of 1-adamantyloxyalkanols. Adamantane Impurity 3

Technology Process of 1-Bromo-3-ethyladamantane

There total 6 articles about 1-Bromo-3-ethyladamantane 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: 92.0%

1-ethyladamantane (770-69-4) → 1-Bromo-3-ethyladamantane (878-61-5)

Guidance literature:

With bromine; at 20 ℃; for 24h;

DOI:10.1002/pola.26820

Reference yield:

2-(adamant-1-yl)ethanol (6240-11-5) → 1-Bromo-3-ethyladamantane (878-61-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / pyridine / 1.) 0 deg C, 2 h, 2.) 6 deg C, overnight

2: 82 percent / LiEt₃BH / tetrahydrofuran / 15 h / Ambient temperature

3: 90.3 percent / Br₂ / 4 h / Heating

With pyridine; bromine; lithium triethylborohydride; In tetrahydrofuran;

DOI:10.1021/jm00343a010

Reference yield:

2-(adamantan-1-yl)ethyl-4-methylbenzenesulfonate (26831-48-1) → 1-Bromo-3-ethyladamantane (878-61-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 82 percent / LiEt₃BH / tetrahydrofuran / 15 h / Ambient temperature

2: 90.3 percent / Br₂ / 4 h / Heating

With bromine; lithium triethylborohydride; In tetrahydrofuran;

DOI:10.1021/jm00343a010

upstream raw materials:

1-ethyladamantane

1-Adamantyl bromide

1-(2-bromo-ethyl)-adamantane

2-(adamant-1-yl)ethanol

Downstream raw materials:

3-ethyladamantane-1-ol

(3,5-Dimethyl-1-adamantyl)bis(p-tolylcarbamoyl)phosphine

(3-Ethyl-1-adamantyl)bis(phenylcarbamoyl)phosphine

3-(3-ethyladamant-1-yloxy)propan-1-ol

Refernces

• 1、 -. "Preparation process of amantadine nitrate derivative". Paragraph 0069-0077. . Retrieved 2019/01/24.
• 2、 Inomata, Sotaro,Harada, Yusuke,Nakamura, Yuya,Uehara, Yosuke,Ishizone, Takashi. "Cationic ring-opening polymerization of novel 1,3-dehydroadamantanes with various alkyl substituents: Synthesis of thermally stable poly(1,3-adamantane)s". . p. 4111 - 4124. Retrieved 2013/09/23.