(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride

Base Information

• Chemical Name: (S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride
• CAS No.: 1213099-69-4
• Molecular Formula: C10H11ClN2
• Molecular Weight: 158.203
• Hs Code.: 2926909090
• European Community (EC) Number: 865-129-4
• DSSTox Substance ID: DTXSID00693597
• Mol file: 1213099-69-4.mol

Synonyms:(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride;1306763-57-4;1213099-69-4;(S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile-HCl;(1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile;hydrochloride;SCHEMBL20841450;DTXSID00693597;NYCLSOKJNLLCHQ-PPHPATTJSA-N;(1S)-1-amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride;(S)-1-AMINO-2,3-DIHYDRO-1H-INDENE-4-CARBONITRILE HCl;AMY16598;MFCD16295046;AKOS015849560;AKOS015924418;GS-7234;AC-30369;CS-0099888;Y10660;A901202;(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrilehydrochloride;(1S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile--hydrogen chloride (1/1);1H-Indene-4-carbonitrile, 1-amino-2,3-dihydro-, hydrochloride (1:1), (1S)-;Ozanimod Intermediate

Chemical Property of (S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride

Chemical Property:

• Boiling Point: 297.7±40.0 °C(Predicted)
• PKA: 8.72±0.20(Predicted)
• PSA: 49.81000
• Density: 1.17±0.1 g/cm3(Predicted)
• LogP: 3.00658
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 194.0610761
• Heavy Atom Count: 13
• Complexity: 215

Purity/Quality:

97% ^*data from raw suppliers

(S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC2=C(C=CC=C2C1N)C#N.Cl
• Isomeric SMILES: C1CC2=C(C=CC=C2[C@H]1N)C#N.Cl
• Uses: (S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile Hydrochloride is a useful reagent in the preparation of aryl(indanyl)oxadiazoles as sphingosine 1 phosphate receptor modulators useful in treatment of S1P1-associated diseases.

Technology Process of (S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride

There total 34 articles about (S)-1-Amino-2,3-dihydro-1H-indene-4-carbonitrile hydrochloride 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: 93.0%

(S)-N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]-2-methylpropane-2-sulfinamide → (S)-(1-amino-2,3-dihydro-1H-indene-1-yl)-4-carbonitrile (1213099-69-4,1213591-14-0)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; methanol; at 20 ℃; for 1.5h;

Reference yield: 88.0%

2C10H10N2*C4H6O6 → (S)-(1-amino-2,3-dihydro-1H-indene-1-yl)-4-carbonitrile (1213099-69-4,1213591-14-0)

Guidance literature:

With potassium carbonate; In dichloromethane; water; at 25 ℃; for 0.25h;

Reference yield: 78.95%

N-(4-cyanoindan-1-yl)acetamide → (S)-(1-amino-2,3-dihydro-1H-indene-1-yl)-4-carbonitrile (1213099-69-4,1213591-14-0)

Guidance literature:

With hydrogenchloride; In ethanol; water; for 12h; Reflux; Large scale;

upstream raw materials:

4-bromo-2,3-dihydroinden-1-one

4-cyano-2,3-dihydro-1H-inden-1-one

1-amino-2,3-dihydro-1H-indene-4-carbonitrile

ethyl 2-ethoxyethanoate

Downstream raw materials:

5-(3-{(1S)-1-[(2-hydroxyethyl)amino]-2,3-dihydro-1H-inden-4-yl}-1,2,4-oxadiazol-5-yl)-2-[(propan-2-yl)oxy]benzonitrile

tert-butyl N-[(1S)-4-cyano-2,3-dihydro-1H-inden-1-yl]carbamate