3-Ethyl-2-methylbenzoxazolium iodide

Base Information

• Chemical Name: 3-Ethyl-2-methylbenzoxazolium iodide
• CAS No.: 5260-37-7
• Molecular Formula: C10H12INO
• Molecular Weight: 289.116
• Hs Code.: 29349990
• European Community (EC) Number: 226-068-3
• DSSTox Substance ID: DTXSID60884141
• Mol file: 5260-37-7.mol

Synonyms:5260-37-7;3-Ethyl-2-methylbenzoxazolium iodide;3-ethyl-2-methylbenzo[d]oxazol-3-ium iodide;EINECS 226-068-3;2-Methyl-3-ethylbenzoxazolium iodide;3-ethyl-2-methyl-1,3-benzoxazol-3-ium;iodide;BENZOXAZOLIUM, 3-ETHYL-2-METHYL-, IODIDE;3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide;Benzoxazolium, 3-ethyl-2-methyl-, iodide (1:1);MFCD00044141;C10H12NO.I;LCZC1634;SCHEMBL1776694;DTXSID60884141;C10-H12-N-O.I;ethyl-2-methyl-benzoxazolium iodide;AKOS015889341;AS-65824;LS-42324;3-ethyl-2-methylbenzo[d]oxazol-3-iumiodide;CS-0322979;E0477;FT-0635590;D90528;3-Ethyl-2-methyl-3H-benzo[d]oxazol-1-ium iodide;3-Ethyl-2-methylbenzoxazolium iodide, technical grade

Chemical Property of 3-Ethyl-2-methylbenzoxazolium iodide

Chemical Property:

• Appearance/Colour: yellow crystalline powder
• Melting Point: 197 °C (dec.)(lit.)
• PSA: 17.02000
• Density: 1.5808 (estimate)
• LogP: -0.94740
• Sensitive.: Light Sensitive & Hygroscopic
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 288.99636
• Heavy Atom Count: 13
• Complexity: 160

Purity/Quality:

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

3-Ethyl-2-methylbenzoxazolium Iodide >98.0%(HPLC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC[N+]1=C(OC2=CC=CC=C21)C.[I-]

Technology Process of 3-Ethyl-2-methylbenzoxazolium iodide

There total 3 articles about 3-Ethyl-2-methylbenzoxazolium iodide 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: 58.0%

2-methyl-1,3-benzoxazole (95-21-6) + ethyl iodide (75-03-6) → 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide (5260-37-7)

Guidance literature:

In acetonitrile; for 24h; Heating;

DOI:10.3390/70300320

Reference yield:

2-methyl-1,3-benzoxazole (95-21-6) → 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide (5260-37-7)

Guidance literature:

Reference yield:

→ 3-ethyl-2-methyl-1,3-benzoxazol-3-ium iodide (5260-37-7)

Guidance literature:

/BRN= 3918629/;

upstream raw materials:

2-methyl-1,3-benzoxazole

ethyl iodide

Downstream raw materials:

N-ethyl-N-[2-(hexyloxy)phenyl]acetamide

acetic acid-(N-ethyl-2-hydroxy-anilide)

C₁₆H₂₇NO

N,N-Diethyl-2-ethoxyaniline

Refernces

• 1、 Pertusati, Fabrizio,Menger, Fredric M.. "Conjugating a cyanine dye to a polymer surface. In search of a monomeric dye in apolar media". . p. 2939 - 2942. Retrieved 2008/09/19.
• 2、 Narayanan, Narasimhachari,Patonay, Gabor. "A New Method for the Synthesis of Heptamethine Cyanine Dyes: Synthesis of New Near-Infrared Fluorescent Labels". . p. 2391 - 2395. Retrieved 2007/10/02.