1-Benzhydrylazetidine-3-carboxylic acid

Base Information

• Chemical Name: 1-Benzhydrylazetidine-3-carboxylic acid
• CAS No.: 36476-87-6
• Molecular Formula: C17H17NO2
• Molecular Weight: 267.327
• Hs Code.: 29339900
• European Community (EC) Number: 673-104-2
• DSSTox Substance ID: DTXSID30370723
• Mol file: 36476-87-6.mol

Synonyms:1-benzhydrylazetidine-3-carboxylic acid;36476-87-6;1-(Diphenylmethyl)azetidine-3-carboxylic acid;1-BENZHYDRYLAZETANE-3-CARBOXYLIC ACID;1-benzhydryl-3-azetidinecarboxylic acid;MFCD01566539;3-AZETIDINECARBOXYLIC ACID, 1-(DIPHENYLMETHYL)-;1-diphenylmethylazetidine-3-carboxylic acid;Maybridge3_004072;1-(diphenylmethyl)-3-carboxyazetidine;Oprea1_775777;SCHEMBL85386;DTXSID30370723;BRSCYENHLCPOAU-UHFFFAOYSA-N;HMS1442J02;1-Diphenylmethyl-3-carboxyazetidine;BCP26309;CS-D0676;BBL010284;SC2101;STK801537;1-benzhydrylazetidin-3-carboxylic acid;AKOS004115394;AC-2255;CCG-249961;MS-0076;PB29150;IDI1_015459;1-Benzhydryl-3 -azetidinecarboxylic acid;1-benzhydryl-azetidine-3-carboxylic acid;SY018368;1-(Diphenylmethyl)azetidine-3-carboxylicacid;1-BENZHYDRYL-3-AZETANECARBOXYLIC ACID;A2440;A6306;AM20040287;B3794;FT-0607363;EN300-317532;SR-01000308213;1-benzhydrylazetidine-3-carboxylic acid, AldrichCPR;Q-103138;SR-01000308213-1;1-(DIPHENYLMETHYL)-3-AZETIDINECARBOXYLIC ACID

Chemical Property of 1-Benzhydrylazetidine-3-carboxylic acid

Chemical Property:

• Appearance/Colour: Brown crystalline solid
• Vapor Pressure: 1.83E-07mmHg at 25°C
• Melting Point: 178 °C
• Refractive Index: 1.63
• Boiling Point: 410.2 °C at 760 mmHg
• PKA: 2?+-.0.20(Predicted)
• Flash Point: 201.9 °C
• PSA: 40.54000
• Density: 1.235 g/cm³
• LogP: 2.73030
• Solubility.: DMF, DMSO
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 267.125928785
• Heavy Atom Count: 20
• Complexity: 308

Purity/Quality:

99% ^*data from raw suppliers

1-Benzhydrylazetidine-3-carboxylic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,T
• Statements: 20/21/22-36/37/38-25
• Safety Statements: 26-36/37/39-45-28-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(CN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
• Uses: 1-Benzhydrylazetidine-3-carboxylic acid has been a useful intermediate in the synthesis of polypeptides.

Technology Process of 1-Benzhydrylazetidine-3-carboxylic acid

There total 6 articles about 1-Benzhydrylazetidine-3-carboxylic 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: 71.7%

1-(1,1-diphenylmethyl)azetidine-3-carbonitrile (36476-86-5) → 1-benzhydrylazetidine-3-carboxylic acid (36476-87-6)

Guidance literature:

1-(1,1-diphenylmethyl)azetidine-3-carbonitrile; With potassium hydroxide; water; In 2-methoxy-ethanol; at 100 ℃; for 4h;

With hydrogenchloride; In water; pH=5;

Reference yield:

1-(diphenylmethyl)-3-methoxycarbonylazetidine (53871-06-0) → 1-benzhydrylazetidine-3-carboxylic acid (36476-87-6)

Guidance literature:

With sodium hydroxide; In tetrahydrofuran; methanol;

Reference yield:

C22H25NO4 → 1-benzhydrylazetidine-3-carboxylic acid (36476-87-6)

Guidance literature:

With hydrogenchloride; at 80 ℃;

upstream raw materials:

1-(1,1-diphenylmethyl)azetidine-3-carbonitrile

1-(diphenylmethyl)-3-methoxycarbonylazetidine

1-(diphenylmethyl)-3-hydroxyazetidine

1-benzhydryl-3-azetidinyl methanesulfonate

Downstream raw materials:

1-(diphenylmethyl)-3-methoxycarbonylazetidine

3-(azetidin-1-ylcarbonyl)-1-benzhydrylazetidine

N'-acetyl-1-benzhydrylazetidine-3-carbohydrazide

1-diphenylmethyl-N-methoxy-N-methylazetidine-3-carboxamide