(S)-(+)-1-Indanyl isocyanate

Base Information

• Chemical Name: (S)-(+)-1-Indanyl isocyanate
• CAS No.: 745783-81-7
• Molecular Formula: C₁₀H₉NO
• Molecular Weight: 159.188
• DSSTox Substance ID: DTXSID70426975
• Mol file: 745783-81-7.mol

Synonyms:(S)-(+)-1-INDANYL ISOCYANATE;745783-81-7;(1S)-1-ISOCYANATO-2,3-DIHYDRO-1H-INDENE;(S)-1-Isocyanato-2,3-dihydro-1h-indene;(S)-1-isocyanatoindane;SCHEMBL1148693;DTXSID70426975;XUEHOPNFOYAYTA-JTQLQIEISA-N;MFCD05664083;(S)-(+)-1-Indanyl isocyanate, AldrichCPR

Chemical Property of (S)-(+)-1-Indanyl isocyanate

Chemical Property:

• Refractive Index: 1.5495
• Boiling Point: 116 °C(Press: 16 Torr)
• PSA: 29.43000
• Density: 1.15±0.1 g/cm3(Predicted)
• LogP: 2.00970
• Sensitive.: Moisture Sensitive
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 159.068413911
• Heavy Atom Count: 12
• Complexity: 208

Purity/Quality:

(S)-(+)-1-INDANYL ISOCYANATE 95.00% ^*data from reagent suppliers

Safty Information:

• Statements: 20/22-36/37/38-42-52
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

Useful:

• Canonical SMILES: C1CC2=CC=CC=C2C1N=C=O
• Isomeric SMILES: C1CC2=CC=CC=C2[C@H]1N=C=O

Technology Process of (S)-(+)-1-Indanyl isocyanate

There total 3 articles about (S)-(+)-1-Indanyl isocyanate 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: 86.0%

phosgene (75-44-5) + (S)-1-Aminoindane (10277-74-4,34698-41-4,61341-86-4,61949-83-5) → (+)-(1S)-indanyl isocyanate (745783-81-7)

Guidance literature:

(S)-1-Aminoindane; With hydrogenchloride;

phosgene; In toluene;

DOI:10.1002/ejoc.200500108

Reference yield:

trimethylsilyl isocyanate (1118-02-1) + INDANE (496-11-7) → C10H9NO (1224439-25-1,745783-81-7)

Guidance literature:

With iodosylbenzene; Mn(5,10,15,20-tetramesitylporphinato)F; silver fluoride; In ethyl acetate; at 20 ℃; Inert atmosphere; Schlenk technique;

DOI:10.1021/jacs.7b07658

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 2,3-dihydro-1H-inden-1-amine (34698-41-4) → C10H9NO (1224439-25-1,745783-81-7)

Guidance literature:

bis(trichloromethyl) carbonate; 2,3-dihydro-1H-inden-1-amine; In 1,2-dichloro-ethane; at 0 ℃;

With triethylamine; In 1,2-dichloro-ethane; Reflux;

DOI:10.1021/jm9008295

upstream raw materials:

phosgene

(S)-1-Aminoindane

bis(trichloromethyl) carbonate

2,3-dihydro-1H-inden-1-amine

Refernces

• 1、 Huang, Xiongyi,Zhuang, Thompson,Kates, Patrick A.,Gao, Hongxin,Chen, Xinyi,Groves, John T.. "Alkyl Isocyanates via Manganese-Catalyzed C-H Activation for the Preparation of Substituted Ureas". supporting information. p. 15407 - 15413. Retrieved 2017/11/06.
• 2、 Schopohl, Matthias C.,Faust, Andreas,Mirk, Daniela,Froehlich, Roland,Kataeva, Olga,Waldvogel, Siegfried R.. "Synthesis of rigid receptors based on triphenylene ketals". . p. 2987 - 2999. Retrieved 2007/10/03.