2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methoxy-benzeneacetic acid

Base Information

• Chemical Name: 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methoxy-benzeneacetic acid
• CAS No.: 354574-30-4
• Molecular Formula: C14H19NO5
• Molecular Weight: 281.30436
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID001161493
• Mol file: 354574-30-4.mol

Synonyms:354574-30-4;DTXSID001161493;2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methoxy-benzeneacetic acid;2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methoxybenzeneacetic acid;[3-Methoxy-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)phenyl]acetic acid

Chemical Property of 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methoxy-benzeneacetic acid

Chemical Property:

• PSA: 84.86000
• LogP: 2.74230
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 281.12632271
• Heavy Atom Count: 20
• Complexity: 350

Purity/Quality:

97% ^*data from raw suppliers

[2-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHOXYPHENYL]ACETIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1=C(C=CC=C1OC)CC(=O)O

Technology Process of 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methoxy-benzeneacetic acid

There total 3 articles about 2-[[(1,1-Dimethylethoxy)carbonyl]amino]-3-methoxy-benzeneacetic acid 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: 80.0%

carbon dioxide (124-38-9,18923-20-1) + 3-methoxy-2-(tert-butyloxycarbonylamino)toluene (545424-34-8) → [3-methoxy-2-(tert-butyloxycarbonylamino)]phenylacetic acid (354574-30-4)

Guidance literature:

3-methoxy-2-(tert-butyloxycarbonylamino)toluene; With n-butyllithium; In tetrahydrofuran; at -40 - -10 ℃;

carbon dioxide; In tetrahydrofuran;

DOI:10.1021/jm020329q

Reference yield:

di-tert-butyl dicarbonate (24424-99-5) → [3-methoxy-2-(tert-butyloxycarbonylamino)]phenylacetic acid (354574-30-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 80 percent / tetrahydrofuran / 24 h / Heating

2.1: n-BuLi / tetrahydrofuran / -40 - -10 °C

2.2: 80 percent / tetrahydrofuran

With n-butyllithium; In tetrahydrofuran;

DOI:10.1021/jm020329q

Reference yield:

2-methoxy-6-methylbenzeneamine (50868-73-0) → [3-methoxy-2-(tert-butyloxycarbonylamino)]phenylacetic acid (354574-30-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 80 percent / tetrahydrofuran / 24 h / Heating

2.1: n-BuLi / tetrahydrofuran / -40 - -10 °C

2.2: 80 percent / tetrahydrofuran

With n-butyllithium; In tetrahydrofuran;

DOI:10.1021/jm020329q

upstream raw materials:

carbon dioxide

3-methoxy-2-(tert-butyloxycarbonylamino)toluene

di-tert-butyl dicarbonate

2-methoxy-6-methylbenzeneamine

Downstream raw materials:

7-methoxy-3-dimethylamidoindazole

[3-methoxy-2-(tert-butyloxycarbonylamino)]phenylacetic acid dimethylacetamide