(S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine

Base Information

• Chemical Name: (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine
• CAS No.: 46049-49-4
• Molecular Formula: C9H11NO2
• Molecular Weight: 165.19
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID301246175
• Nikkaji Number: J3.217.089G
• Mol file: 46049-49-4.mol

Synonyms:46049-49-4;(S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine;(S)-2,3-dihydro-1,4-Benzodioxin-2-methanamine;[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine;1,4-Benzodioxin-2-methanamine, 2,3-dihydro-, (S)-;SCHEMBL439092;DTXSID301246175;WBA04949;FD6050;MFCD10697676;CS-0186145;2,3-Dihydro-1,4-benzodioxin-2beta-methaneamine;(2S)-2,3-Dihydro-1,4-benzodioxin-2-methanamine;(S)-2-Aminomethyl-2,3-dihydro-benzo[1,4]dioxine

Chemical Property of (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine

Chemical Property:

• Vapor Pressure: 0.00885mmHg at 25°C
• Refractive Index: 1.545
• Boiling Point: 266.024 °C at 760 mmHg
• Flash Point: 124.098 °C
• PSA: 44.48000
• Density: 1.154 g/cm³
• LogP: 1.48540
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 165.078978594
• Heavy Atom Count: 12
• Complexity: 152

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-Aminomethyl-2,3-dihydro-benzo[1,4]dioxine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(OC2=CC=CC=C2O1)CN
• Isomeric SMILES: C1[C@@H](OC2=CC=CC=C2O1)CN

Technology Process of (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine

There total 22 articles about (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine 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: 88.0%

(S)-2-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)isoindoline-1,3-dione (71084-45-2) → (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine (46049-49-4)

Guidance literature:

With hydrazine hydrate; In methanol; for 2h; Reflux;

DOI:10.1016/j.bmc.2015.05.047

Reference yield: 88.0%

(S)-2-((azido)methyl)-1,4-benzodioxane (753022-27-4) → (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine (46049-49-4)

Guidance literature:

With hydrazine hydrate; trimethyleneglycol; In methanol; for 2h; Heating;

DOI:10.1016/j.bmc.2004.06.040

Reference yield: 41.0%

(R)-N-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1-phenylethanamine → (S)-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methanamine (46049-49-4)

Guidance literature:

With palladium 10% on activated carbon; ammonium formate; In methanol; for 0.25h; Inert atmosphere; Reflux;

upstream raw materials:

(S)-2-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)isoindoline-1,3-dione

(S)-2-((azido)methyl)-1,4-benzodioxane

(S)-3-(2-hydroxyphenoxy)-1,2-bis(mesyloxy)propane

(S)-3-(2-benzyloxyphenoxy)-1,2-bis(mesyloxy)propane

Downstream raw materials:

C₂₅H₂₃NO₅

C₂₅H₂₃NO₆

(S)-2-hydroxymethyl-1,4-benzodioxane

(R)-methyl 2,3-dihydrobenzo[b][1,4]dioxine-2-carboxylate