1,4,8-三(叔丁氧碳酰)-1,4,8,11-四氮杂环十四烷 | 170161-27-0

分子结构分类

有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物

中文名称

1,4,8-三(叔丁氧碳酰)-1,4,8,11-四氮杂环十四烷

中文别名

1,4,8-三-Boc-1,4,8,11-四氮杂环十四烷；1,4,8-三-BOC-1,4,8,11-四氮杂环十四烷

英文名称

1,4,8-tris(tert-butoxycarbonyl)-1,4,8,11-tetraazacyclotetradecane

英文别名

tri-tert-butyl 1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate；Boc₃-cyclam；4,8,11-tris(tert-butyloxycarbamoyl)-1,4,8,11-tetraazacyclotetradecane；1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester；tri Boc cyclam；1,4,8-Tri-Boc-1,4,8,11-tetraazacyclotetradecane；tritert-butyl 1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate

CAS

170161-27-0

化学式

C₂₅H₄₈N₄O₆

mdl

MFCD09263315

分子量

500.679

InChiKey

FIPOUUYFPSMVMX-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

熔点：

48-54°C
沸点：

570.3±45.0 °C(Predicted)
密度：

1.044±0.06 g/cm3(Predicted)
稳定性/保质期：

避免接触氧化物和水分。

计算性质

辛醇/水分配系数(LogP)：

2.9
重原子数：

35
可旋转键数：

6
环数：

1.0
sp3杂化的碳原子比例：

0.88
拓扑面积：

101
氢给体数：

1
氢受体数：

7

安全信息

海关编码：

2933990090
危险性防范说明：

P261,P305+P351+P338
危险性描述：

H315,H319,H335
储存条件：

保存方法：密闭、阴凉、通风干燥处。

SDS

SDS：fce3da83a043697f59dec2b4f43fe782

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上下游信息

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	11-(3-amino-propyl)-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	957829-82-2	C₂₈H₅₅N₅O₆	557.775
——	tri-tert-butyl 11-(prop-2-yn-1-yl)-1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate	1093239-07-6	C₂₈H₅₀N₄O₆	538.728
——	(4,8,11-tris(tert-butyloxycarbamoyl)-1,4,8,11-tetraazacyclotetradec-1-yl)-acetic acid	191108-09-5	C₂₇H₅₀N₄O₈	558.716
——	1,4,8-tris(tert-butoxycarbonyl)-11-(2,2,2-trichloroethoxycarbonyl)-1,4,8,11-tetraazacyclotetradecane	414858-06-3	C₂₈H₄₉Cl₃N₄O₈	676.078
——	11-(2-amino-acetyl)-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	957829-78-6	C₂₇H₅₁N₅O₇	557.731
——	tri Boc cyclam 2-(2-ethoxyethoxy)ethanamine	1430102-12-7	C₃₁H₆₁N₅O₈	631.854
——	11-(2-amino-ethylcarbamoyl)-methyl-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	957829-86-6	C₂₉H₅₆N₆O₇	600.8
——	11-(2-Chloro-acetyl)-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	321659-01-2	C₂₇H₄₉ClN₄O₇	577.162
——	tri-tert-butyl 11-(2-methoxy-2-oxoethyl)-1,4,8,11-tetraazacyclotetradecane-1,4,8-tricarboxylate	957829-92-4	C₂₉H₅₄N₄O₈	586.77
——	1,1'-(1,5-dioxo-pentane)-bis[4,8,11-tris(tert-butyloxycarbonyl)-1,4,8,11-tetraazacyclotetradecane]	203568-14-3	C₅₅H₁₀₀N₈O₁₄	1097.44
——	5-<4,8-bis(tert-butyloxycarbonyl)-11-<5-oxo-5-<4,8,11-tris(tert-butoxycarbonyl)-1,4,8,11-tetraazacyclotetradecanyl>pentanoyl>-1,4,8,11-tetraazacyclotetradecanyl> pentanoic acid	203568-35-8	C₅₅H₁₀₀N₈O₁₄	1097.44
——	11-(3-benzyloxycarbonylamino-propyl)-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	957829-81-1	C₃₆H₆₁N₅O₈	691.909
——	11-[2-(13-tert-Butoxycarbonyl-1,9-dithia-5,13-diaza-cyclohexadec-5-yl)-acetyl]-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	321659-02-3	C₄₄H₈₂N₆O₉S₂	903.302
——	Tritert-butyl 11-[5-[11-(5-ethoxy-5-oxopentyl)-4,8-bis[(2-methylpropan-2-yl)oxycarbonyl]-1,4,8,11-tetrazacyclotetradec-1-yl]-5-oxopentanoyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate	203568-20-1	C₅₇H₁₀₄N₈O₁₄	1125.5
——	1,1'-p-xylylbis<4,8,11-tris(tert-butyloxycarbonyl)-1,4,8,11-tetraazacyclotetradecane>	175854-48-5	C₅₈H₁₀₂N₈O₁₂	1103.49
——	11-[(2-benzyloxycarbonylamino-ethylcarbamoyl)-methyl]-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	957829-85-5	C₃₇H₆₂N₆O₉	734.934
——	Tritert-butyl 11-[[4-(hydroxymethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate	1254176-43-6	C₃₃H₅₆N₄O₇	620.83
——	1-benzyloxycarbonylmethyl-4,8,11-tris(tert-butoxycarbonyl)-1,5,8,11-tetraazacyclotetradecane	1173758-71-8	C₃₄H₅₆N₄O₈	648.841
——	1-[4-(carboxaldehyde)phenylmethyl]-4,8,11-tris-(tert-butoxycarbonyl)-1,4,8,11-tetraazacyclotetradecane	1242274-98-1	C₃₃H₅₄N₄O₇	618.814
——	11-[2-(4-tert-Butoxycarbonyl-1,7-dithia-4,11-diaza-cyclotetradec-11-yl)-acetyl]-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	321659-12-5	C₄₂H₇₈N₆O₉S₂	875.248
——	11-(2-benzyloxycarbonylamino-acetyl)-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	957829-77-5	C₃₅H₅₇N₅O₉	691.866
——	11-(3-Bromomethyl-benzyl)-1,4,8,11-tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester	305846-66-6	C₃₃H₅₅BrN₄O₆	683.727
——	5-<4,8-bis(tert-butyloxycarbonyl)-11-<4-<<4,8,11-tris(tert-butoxycarbonyl)-1,4,8,11-tetraazacyclotetradecanyl>methyl>benzyl>-1,4,8,11-tetraazacyclotetradecanyl> pentanoic acid	220481-70-9	C₅₈H₁₀₂N₈O₁₂	1103.49
——	1,1'-p-xylyl-bis<4,8-bis(tert-butoxycarbonyl)-11-pentanoic acid-1,4,8,11-tetraazacyclotetradecane>	——	C₅₈H₁₀₂N₈O₁₂	1103.49
——	1,4,8-tris(tert-butoxycarbonyl)-11-(4-methylphenyl)-1,4,8,11-tetraazacyclotetradodecane	1439371-38-6	C₃₂H₅₄N₄O₆	590.804
——	Tritert-butyl 11-[(4-methoxycarbonylphenyl)methyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate	321747-01-7	C₃₄H₅₆N₄O₈	648.841
——	11-(4-nitrobenzyl)-1,4,8-tris-(tert-butoxycarbonyl)-1,4,8,11-tetraazacyclotetradecane	850141-57-0	C₃₂H₅₃N₅O₈	635.802
——	Tritert-butyl 11-[4-[4,8,11-tris(tert-butoxycarbonyl)-1,4,8,11-tetrazacyclotetradecane-1-carbonyl]benzoyl]-1,4,8,11-tetrazacyclotetradecane-1,4,8-tricarboxylate	220481-74-3	C₅₈H₉₈N₈O₁₄	1131.46

反应信息

作为反应物：

描述：

1,4,8-三(叔丁氧碳酰)-1,4,8,11-四氮杂环十四烷在盐酸、 sodium carbonate 作用下，以乙腈为溶剂，反应 49.0h，生成普乐沙福

参考文献：

名称：

Brandes, Stephane, Bulletin de la Societe Chimique de France, 1996, vol. 133, # 1, p. 65 - 73

摘要：

DOI：
作为产物：

描述：

1,4,8,11-四氮杂环十四烷、二