2-Bromo-2-phenyl-1H-indene-1,3(2H)-dione

Base Information

• Chemical Name: 2-Bromo-2-phenyl-1H-indene-1,3(2H)-dione
• CAS No.: 1801-20-3
• Molecular Formula: C15H9 Br O2
• Molecular Weight: 301.139
• Hs Code.: 2914700090
• NSC Number: 267317
• UNII: CY9A648KXS
• DSSTox Substance ID: DTXSID60170915
• Wikidata: Q83040933
• Mol file: 1801-20-3.mol

Synonyms:1801-20-3;2-Bromo-2-phenyl-1H-indene-1,3(2H)-dione;2-bromo-2-phenylindane-1,3-dione;2-bromo-2-phenylindene-1,3-dione;1,3-Indandione, 2-bromo-2-phenyl-;2-Bromo-2-phenylindan-1,3-dione;NSC267317;NSC 267317;BRN 1971277;CY9A648KXS;NSC-267317;UNII-CY9A648KXS;SCHEMBL14939057;DTXSID60170915;2-bromo-2-phenyl-1,3-indanedione;BAA80120;2-bromo-2-phenyl-indane-1,3-dione;MFCD00224183;AKOS000369691;AS-9703;LS-81138;2-BROMO-2-PHENYL-INDAN-1,3-DIONE;CS-0116873;FT-0611402;1H-Indene-1,3(2H)-dione, 2-bromo-2-phenyl-;SR-01000078260;SR-01000078260-1;2-bromo-2-phenyl-2,3-dihydro-1H-indene-1,3-dione

Chemical Property of 2-Bromo-2-phenyl-1H-indene-1,3(2H)-dione

Chemical Property:

• Vapor Pressure: 2.84E-07mmHg at 25°C
• Melting Point: 106 °C
• Boiling Point: 420.3°Cat760mmHg
• Flash Point: 134°C
• PSA: 34.14000
• Density: 1.597g/cm³
• LogP: 3.35600
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 299.97859
• Heavy Atom Count: 18
• Complexity: 347

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Bromo-2-phenylindane-1,3-dione ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: R36/37/38:Irritating to eyes, respiratory system and skin.
• Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S37/39:Wear suitable g

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)Br

Technology Process of 2-Bromo-2-phenyl-1H-indene-1,3(2H)-dione

There total 9 articles about 2-Bromo-2-phenyl-1H-indene-1,3(2H)-dione 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: 97.0%

phenindione (83-12-5) → 2-bromo-2-phenyl-indan-1,3-dione (1801-20-3)

Guidance literature:

With bromine; In acetic acid; at 35 - 40 ℃; for 2h;

Reference yield:

2-benzofuran-1(3H)-one (87-41-2) → 2-bromo-2-phenyl-indan-1,3-dione (1801-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 49 percent / Na / ethyl acetate; methanol / 2 h / Heating

2: 97 percent / Br₂ / acetic acid / 2 h / 35 - 40 °C

With bromine; sodium; In methanol; acetic acid; ethyl acetate;

Reference yield:

benzaldehyde (100-52-7) → 2-bromo-2-phenyl-indan-1,3-dione (1801-20-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 49 percent / Na / ethyl acetate; methanol / 2 h / Heating

2: 97 percent / Br₂ / acetic acid / 2 h / 35 - 40 °C

With bromine; sodium; In methanol; acetic acid; ethyl acetate;

upstream raw materials:

phenindione

2-Phenyl-indandion-(1,3)-imin

chloroform

bromine

Downstream raw materials:

phenindione

3-ethyl-3-hydroxy-2-phenyl-indan-1-one

10a-phenylbenzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-one

8-methyl-10a-phenylbenzo[b]indeno[1,2-e][1,4]thiazin-11(10aH)-one

Refernces

• 1、 Mitka, Katarzyna,Kowalski, Piotr,Sulko, Jerzy,Wozniak, Marian,Kloc, Jowita,Chodkowska, Anna,Jagiello-Wojtowicz, Ewa. "Synthesis and pharmacological properties of sulfur derivatives of indane-1,3-dione". . p. 387 - 393. Retrieved 2007/10/03.