1,3-Dibromo-5-isopropylbenzene

Base Information

• Chemical Name: 1,3-Dibromo-5-isopropylbenzene
• CAS No.: 62655-20-3
• Molecular Formula: C9H10Br2
• Molecular Weight: 277.986
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID60375600
• Wikidata: Q82164190
• Mol file: 62655-20-3.mol

Synonyms:1,3-Dibromo-5-isopropylbenzene;62655-20-3;1,3-dibromo-5-propan-2-ylbenzene;Benzene, 1,3-dibromo-5-(1-methylethyl)-;SCHEMBL2387700;1,3-dibromo-5-isopropyl-benzene;DTXSID60375600;NZSDHAXDRSHURO-UHFFFAOYSA-N;AMY28163;MFCD06657957;1,3-dibromo-5-(propan-2-yl)benzene;AKOS015904298;AB89869;AS-18870;CS-0168025;FT-0730177;EN300-118210;A868411

Chemical Property of 1,3-Dibromo-5-isopropylbenzene

Chemical Property:

• Boiling Point: 90-91 °C(Press: 2 Torr)
• PSA: 0.00000
• Density: 1.6399 g/cm3
• LogP: 4.33500
• Storage Temp.: 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 277.91288
• Heavy Atom Count: 11
• Complexity: 113

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Dibromo-5-isopropylbenzene ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1=CC(=CC(=C1)Br)Br

Technology Process of 1,3-Dibromo-5-isopropylbenzene

There total 3 articles about 1,3-Dibromo-5-isopropylbenzene 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: 63.0%

2,6-dibromo-4-(1-methylethyl)benzenamine (10546-65-3) → 1,3-dibromo-5-isopropylbenzene (62655-20-3)

Guidance literature:

2,6-dibromo-4-(1-methylethyl)benzenamine; With sulfuric acid; In ethanol; at -5 ℃; for 0.25h;

With sodium nitrite; In ethanol; at 80 ℃;

DOI:10.1016/j.ejmech.2016.12.006

Reference yield:

4-Isopropylaniline (99-88-7) + 2-isopropylaniline (643-28-7) → 1,3-dibromo-5-isopropylbenzene (62655-20-3)

Guidance literature:

With methanol; bromine; acetic acid; Behandeln des Reaktionsprodukts mit Essigsaeure, wss. Salzsaeure und Natriumnitrit und anschliessend Behandeln mit Hypophosphorigsaeure;

DOI:10.1021/ja01552a070

Reference yield:

4-Isopropylaniline (99-88-7) → 1,3-dibromo-5-isopropylbenzene (62655-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: acetic acid; bromine / 6 h / 85 °C

2.1: sulfuric acid / ethanol / 0.25 h / -5 °C

2.2: 80 °C

With sulfuric acid; bromine; acetic acid; In ethanol;

DOI:10.1016/j.ejmech.2016.12.006

upstream raw materials:

4-Isopropylaniline

2-isopropylaniline

2,6-dibromo-4-(1-methylethyl)benzenamine

Downstream raw materials:

5-isopropyl-1,3-phenylenediamine

Refernces