5-Methoxy-1,3,3-trimethyl-2-methyleneindoline

Base Information

• Chemical Name: 5-Methoxy-1,3,3-trimethyl-2-methyleneindoline
• CAS No.: 35976-46-6
• Molecular Formula: C13H17 N O
• Molecular Weight: 203.284
• Hs Code.: 2933990090
• European Community (EC) Number: 252-823-1
• DSSTox Substance ID: DTXSID00189526
• Nikkaji Number: J319.599F
• Wikidata: Q83061645
• Mol file: 35976-46-6.mol

Synonyms:5-Methoxy-1,3,3-trimethyl-2-methyleneindoline;35976-46-6;5-methoxy-1,3,3-trimethyl-2-methylideneindole;EINECS 252-823-1;1,3,3-trimethyl-2-methylene-5-methoxyindoline;SCHEMBL3819871;DTXSID00189526;BGXWEEHVMWADRH-UHFFFAOYSA-N;1H-Indole, 2,3-dihydro-5-methoxy-1,3,3-trimethyl-2-methylene-;5-methoxy-1,3,3-trimethyl-2-methylene-indoline

Chemical Property of 5-Methoxy-1,3,3-trimethyl-2-methyleneindoline

Chemical Property:

• Vapor Pressure: 0.000955mmHg at 25°C
• Boiling Point: 303°Cat760mmHg
• Flash Point: 89.4°C
• PSA: 12.47000
• Density: 1.04g/cm³
• LogP: 3.00130
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.131014166
• Heavy Atom Count: 15
• Complexity: 272

Purity/Quality:

98%Min ^*data from raw suppliers

5-Methoxy-1,3,3-trimethyl-2-methyleneindoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C(=C)N(C2=C1C=C(C=C2)OC)C)C

Technology Process of 5-Methoxy-1,3,3-trimethyl-2-methyleneindoline

There total 9 articles about 5-Methoxy-1,3,3-trimethyl-2-methyleneindoline 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: 70.0%

5-methoxy-1,2,3,3-tetramethyl-3H-indolium iodide (57019-81-5) → 1,3,3-trimethyl-5-methoxy-2-methyleneindoline (35976-46-6)

Guidance literature:

With potassium hydroxide; In water; acetonitrile; at 20 ℃; for 1h;

DOI:10.1021/jo062004d

Reference yield:

5-Methoxy-2,3,3-trimethyl-3H-indole (31241-19-7) → 1,3,3-trimethyl-5-methoxy-2-methyleneindoline (35976-46-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 49 percent / acetonitrile / 24 h / Heating

2: 70 percent / potassium hydroxide / H₂O; acetonitrile / 1 h / 20 °C

With potassium hydroxide; In water; acetonitrile;

DOI:10.1021/jo062004d

Reference yield:

4-methoxyphenylhydrazine hydrochloride (19501-58-7) → 1,3,3-trimethyl-5-methoxy-2-methyleneindoline (35976-46-6)

Guidance literature:

Multi-step reaction with 3 steps

1: 84 percent / ethanol / 5 h / Heating

2: 49 percent / acetonitrile / 24 h / Heating

3: 70 percent / potassium hydroxide / H₂O; acetonitrile / 1 h / 20 °C

With potassium hydroxide; In ethanol; water; acetonitrile;

DOI:10.1021/jo062004d

upstream raw materials:

5-methoxy-1,2,3,3-tetramethyl-3H-indolium iodide

methylene chloride

lithium 5-methoxy-2,3,3-trimethylindolenide

3-methyl-butan-2-one

Downstream raw materials:

1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[2H-1-benzopyran-2',2'-(2H)-indole]

2-(4,6-dichloro-[1,3,5]triazin-2-yl-methylene)-5-methoxy-1,3,3-trimethyl-indoline

C₂₁H₂₂N₂O₄S

5'-methoxy-1',3',3'-trimethylspiro[benzo[ ]chromene-3,2'-indoline]