4,5,6,7-Tetrahydro-1-benzofuran-4-amine

Base Information

• Chemical Name: 4,5,6,7-Tetrahydro-1-benzofuran-4-amine
• CAS No.: 389795-57-7
• Molecular Formula: C8H11NO
• Molecular Weight: 137.17900
• European Community (EC) Number: 969-121-2
• ChEMBL ID: CHEMBL4579011
• DSSTox Substance ID: DTXSID00594454
• Mol file: 389795-57-7.mol

Synonyms:389795-57-7;4,5,6,7-tetrahydro-1-benzofuran-4-amine;4,5,6,7-tetrahydrobenzofuran-4-amine;4-Benzofuranamine, 4,5,6,7-tetrahydro-;SCHEMBL1265184;CHEMBL4579011;DTXSID00594454;UDDVUZXMEMNBBT-UHFFFAOYSA-N;MFCD09039898;AKOS000782854;AKOS022718927;DA-22020;SY169962;CS-0245644;EN300-30784;G44855;F8889-7334;Z316258464

Chemical Property of 4,5,6,7-Tetrahydro-1-benzofuran-4-amine

Chemical Property:

• PSA: 39.16000
• LogP: 2.31600
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 137.084063974
• Heavy Atom Count: 10
• Complexity: 126

Purity/Quality:

99% ^*data from raw suppliers

4,5,6,7-tetrahydro-1-benzofuran-4-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(C2=C(C1)OC=C2)N

Technology Process of 4,5,6,7-Tetrahydro-1-benzofuran-4-amine

There total 4 articles about 4,5,6,7-Tetrahydro-1-benzofuran-4-amine 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: 99.0%

4-oxo-4,5,6,7-tetrahydrobenzofuran (16806-93-2) → 4,5,6,7-tetrahydro-1-benzofuran-4-amine (389795-57-7)

Guidance literature:

With ammonium acetate; sodium cyanoborohydride; In methanol; for 4h; Molecular sieve; Reflux;

Reference yield:

6,7-dihydro-1-benzofuran-4(5H)-one oxime (61190-46-3) → 4,5,6,7-tetrahydro-1-benzofuran-4-amine (389795-57-7)

Guidance literature:

With methanol; sodium tetrahydroborate; nickel(II) chloride hexahydrate; at 0 ℃; for 0.5h;

Reference yield:

1,3-cylohexanedione (504-02-9) → 4,5,6,7-tetrahydro-1-benzofuran-4-amine (389795-57-7)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydrogencarbonate / water / 18 h / 0 - 25 °C

2: sodium acetate; hydroxylamine hydrochloride / methanol / 20 °C

3: nickel(II) chloride hexahydrate; sodium tetrahydroborate; methanol / 0.5 h / 0 °C

With methanol; sodium tetrahydroborate; nickel(II) chloride hexahydrate; hydroxylamine hydrochloride; sodium acetate; sodium hydrogencarbonate; In methanol; water;

upstream raw materials:

4-oxo-4,5,6,7-tetrahydrobenzofuran

1,3-cylohexanedione

6,7-dihydro-1-benzofuran-4(5H)-one oxime

Refernces

• 1、 -. "CXCR2 ANTAGONIST". . . Retrieved 2020/11/23.
• 2、 -. "Substituted aryl 1,4-pyrazine derivatives". . . Retrieved 2008/06/13.